Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:20:21 UTC |
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Update Date | 2020-06-04 22:07:36 UTC |
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BMDB ID | BMDB0000161 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | L-Alanine |
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Description | L-Alanine, also known as (S)-alanine or L-alpha-alanine, belongs to the class of organic compounds known as alanine and derivatives. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-Alanine is a drug which is used for protein synthesis. L-Alanine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. L-Alanine exists in all living species, ranging from bacteria to humans. L-Alanine is a potentially toxic compound. L-Alanine has been found to be associated with several diseases known as eosinophilic esophagitis, late-onset preeclampsia, autism, and perillyl alcohol administration for cancer treatment; also l-alanine has been linked to the inborn metabolic disorders including glucagon deficiency. |
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Structure | |
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Synonyms | Value | Source |
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(2S)-2-Aminopropanoic acid | ChEBI | (S)-2-Aminopropanoic acid | ChEBI | (S)-Alanine | ChEBI | A | ChEBI | Ala | ChEBI | ALANINE | ChEBI | L-2-Aminopropionic acid | ChEBI | L-Alanin | ChEBI | L-alpha-Alanine | ChEBI | (2S)-2-Aminopropanoate | Generator | (S)-2-Aminopropanoate | Generator | L-2-Aminopropionate | Generator | L-a-Alanine | Generator | L-Α-alanine | Generator | (S)-(+)-Alanine | HMDB | (S)-2-Amino-propanoate | HMDB | (S)-2-Amino-propanoic acid | HMDB | 2-Aminopropanoate | HMDB | 2-Aminopropanoic acid | HMDB | 2-Aminopropionate | HMDB | 2-Aminopropionic acid | HMDB | 2-Ammoniopropanoate | HMDB | 2-Ammoniopropanoic acid | HMDB | a-Alanine | HMDB | a-Aminopropionate | HMDB | a-Aminopropionic acid | HMDB | alpha-Alanine | HMDB | alpha-Aminopropanoate | HMDB | alpha-Aminopropanoic acid | HMDB | alpha-Aminopropionate | HMDB | alpha-Aminopropionic acid | HMDB | L-(+)-Alanine | HMDB | L-2-Aminopropanoate | HMDB | L-2-Aminopropanoic acid | HMDB | L-a-Aminopropionate | HMDB | L-a-Aminopropionic acid | HMDB | L-alpha-Aminopropionate | HMDB | L-alpha-Aminopropionic acid | HMDB | Abufène | HMDB | Alanine doms-adrian brand | HMDB | Alanine, L-isomer | HMDB | Doms-adrian brand OF alanine | HMDB | Doms adrian brand OF alanine | HMDB | L-Isomer alanine | HMDB | Alanine, L isomer | HMDB | L Alanine | HMDB |
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Chemical Formula | C3H7NO2 |
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Average Molecular Weight | 89.0932 |
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Monoisotopic Molecular Weight | 89.047678473 |
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IUPAC Name | (2S)-2-aminopropanoic acid |
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Traditional Name | L-alanine |
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CAS Registry Number | 56-41-7 |
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SMILES | C[C@H](N)C(O)=O |
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InChI Identifier | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
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InChI Key | QNAYBMKLOCPYGJ-REOHCLBHSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as alanine and derivatives. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Alanine and derivatives |
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Alternative Parents | |
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Substituents | - Alanine or derivatives
- Alpha-amino acid
- L-alpha-amino acid
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxygen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Amine
- Organopnictogen compound
- Organic oxide
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Status | Detected and Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | - Cytoplasm
- Lysosome
- Mitochondria
- Peroxisome
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 300 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 204 mg/mL | Human Metabolome Project | LogP | -2.85 | SANGSTER (1994) |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (1 TMS) | splash10-014i-0900000000-c7f6dbace291e8305a4e | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized) | splash10-014i-0900000000-381ddf4d9ea77be0b8a5 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-01b9-6900000000-6a7c1bb2915e5dd0791f | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (2 TMS) | splash10-014i-1900000000-84b389f82562c29a8148 | View in MoNA |
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GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-00kf-9000000000-b2f7507be509a85d821b | View in MoNA |
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GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-014i-0900000000-941672891ab94cf5015d | View in MoNA |
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GC-MS | GC-MS Spectrum - EI-B (Non-derivatized) | splash10-0f79-0910000000-47bd3e3aa274a653a64e | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-014i-0900000000-c7f6dbace291e8305a4e | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-014i-0900000000-381ddf4d9ea77be0b8a5 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-QQ (Non-derivatized) | splash10-0a4i-1940000000-5def9f7c902aaf1ef607 | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-01b9-6900000000-6a7c1bb2915e5dd0791f | View in MoNA |
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GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-014i-1900000000-84b389f82562c29a8148 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0006-9000000000-d31f7a2ed8284a740b59 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-0006-9100000000-ab365202f52df8e6d401 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | View in JSpectraViewer |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | View in JSpectraViewer |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative | splash10-000i-9000000000-55d0139f513946f76461 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative | splash10-000i-9000000000-5b0dff13a98daf782205 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative | splash10-000i-9000000000-37db595fcf7364600bc9 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-000i-9000000000-55d0139f513946f76461 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-000i-9000000000-5b0dff13a98daf782205 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , negative | splash10-000i-9000000000-37db595fcf7364600bc9 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 40V, Negative | splash10-000i-9000000000-9ca90486c916f938450b | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9000000000-e9e9900761fdd599ee3f | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 10V, Negative | splash10-000i-9000000000-17dcfdd88dc79713c4b7 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 10V, Negative | splash10-000i-9000000000-8cc23f8c1455fdf68df5 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 35V, Negative | splash10-000i-9000000000-7b5177095a55ce689565 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 33V, Negative | splash10-0uxr-9400000000-b26be1c8f3385f90fcc3 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - 33V, Negative | splash10-02ti-9000000000-41eecbbaba19b8b0b536 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-0006-9000000000-96b54b269c91ab21be08 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-0006-9000000000-a8008305399aa1097e1a | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-0006-9000000000-7253c912562200edc231 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - EI-B (HITACHI RMU-6M) , Positive | splash10-00kf-9000000000-72694f3a1a5de3b49790 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive | splash10-0006-9000000000-5129e160acf979ac549e | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive | splash10-0006-9000000000-11c20eba8c5ad41d806c | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive | splash10-0006-9000000000-df7c7d6a6ae2d6bccefe | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive | splash10-0006-9000000000-32477244247613182214 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive | splash10-000f-9002000000-4873ce0cdcac54d68186 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - CE-ESI-TOF (CE-system connected to 6210 Time-of-Flight MS, Agilent) , Positive | splash10-0006-9000000000-8193842b36c819ca3ec6 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0006-9000000000-fefc31c264a2f0fcf6d0 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - LC-ESI-QQ , positive | splash10-0006-9000000000-ba42bcd60aa9182a780e | View in MoNA |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 125 MHz, H2O, experimental) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Not Available | View in JSpectraViewer |
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2D NMR | [1H, 1H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental) | Not Available | View in JSpectraViewer |
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2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | Not Available | View in JSpectraViewer |
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All Tissues | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Blood | Detected and Quantified | 188.9 uM | Not Specified | Not Specified | Normal | | details | Blood | Detected and Quantified | 1343 +/- 402 uM | Not Specified | Not Specified | Normal | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Blood | Detected and Quantified | 162-179 uM | Not Specified | Not Specified | Normal | | details | Blood | Detected and Quantified | 160.5 uM | Not Specified | Both | Normal | | details | Blood | Detected and Quantified | 151-222 uM | Not Specified | Not Specified | Normal | | details | Blood | Detected and Quantified | 162-212 uM | Not Specified | Not Specified | Normal | | details | Blood | Detected and Quantified | 187-206 uM | Not Specified | Not Specified | Normal | | details | Blood | Detected and Quantified | 240 +/- 30 uM | Not Specified | Not Specified | Normal | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Colostrum | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Colostrum | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Detected and Quantified | 2366-3515 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Liver | Detected and Quantified | 1388 +/- 276 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Liver | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Longissimus Thoracis Muscle | Detected and Quantified | 1465 +/- 272 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Mammary Gland | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 29.20 +/- 5.91 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 29 - 78 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 9 - 91 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 13469.0414 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 13469.0414 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 13469.0414 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 13469.0414 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 12346.621 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 12346.621 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 12346.621 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 29 +/- 2 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 33 +/- 1 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 31 +/- 1 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 32 +/- 3 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 31 +/- 3 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 33 +/- 2 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 32 +/- 1 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 34 +/- 3 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 27.45 +/- 5.67 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected and Quantified | 23.82 +/- 5.36 uM | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Muscle | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 1087.79 +/- 32.71 uM | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 1147.17 +/- 64.08 uM | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 1163.71 +/- 86.55 uM | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 1237.91 +/- 72.51 uM | Not Specified | Not Specified | Normal | | details | Muscle | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 1055-1310 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 22790 +/- 1780 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 26340 +/- 2260 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 16280 +/- 2200 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 18950 +/- 1630 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 2300 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 167-239 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 1916-3173 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Placenta | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Prostate Tissue | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 244 +/- 40 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 314 +/- 84 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 441 +/- 74 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 220 +/- 51 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 220 +/- 51 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 83-799 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 135-315 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 212 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 397 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 415 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 197 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 234.9 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 323.4 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 1060 +/- 484 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 480.1 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 212.1 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 212.13 +/- 47.03 uM | Not Specified | Not Specified | Normal | | details | Semen | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Semen | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Semimembranosus Muscle | Detected and Quantified | 1472 +/- 278 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Testis | Detected and Quantified | 880-1200 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Testis | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Testis | Detected and Quantified | 1400 +/- 294 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Urine | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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General References | - Klein MS, Almstetter MF, Schlamberger G, Nurnberger N, Dettmer K, Oefner PJ, Meyer HH, Wiedemann S, Gronwald W: Nuclear magnetic resonance and mass spectrometry-based milk metabolomics in dairy cows during early and late lactation. J Dairy Sci. 2010 Apr;93(4):1539-50. doi: 10.3168/jds.2009-2563. [PubMed:20338431 ]
- Klein MS, Buttchereit N, Miemczyk SP, Immervoll AK, Louis C, Wiedemann S, Junge W, Thaller G, Oefner PJ, Gronwald W: NMR metabolomic analysis of dairy cows reveals milk glycerophosphocholine to phosphocholine ratio as prognostic biomarker for risk of ketosis. J Proteome Res. 2012 Feb 3;11(2):1373-81. doi: 10.1021/pr201017n. Epub 2011 Dec 9. [PubMed:22098372 ]
- Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. [PubMed:23438684 ]
- Sundekilde UK, Gustavsson F, Poulsen NA, Glantz M, Paulsson M, Larsen LB, Bertram HC: Association between the bovine milk metabolome and rennet-induced coagulation properties of milk. J Dairy Sci. 2014 Oct;97(10):6076-84. doi: 10.3168/jds.2014-8304. Epub 2014 Jul 30. [PubMed:25087032 ]
- Buitenhuis AJ, Sundekilde UK, Poulsen NA, Bertram HC, Larsen LB, Sorensen P: Estimation of genetic parameters and detection of quantitative trait loci for metabolites in Danish Holstein milk. J Dairy Sci. 2013 May;96(5):3285-95. doi: 10.3168/jds.2012-5914. Epub 2013 Mar 15. [PubMed:23497994 ]
- Scano P, Murgia A, Pirisi FM, Caboni P: A gas chromatography-mass spectrometry-based metabolomic approach for the characterization of goat milk compared with cow milk. J Dairy Sci. 2014 Oct;97(10):6057-66. doi: 10.3168/jds.2014-8247. Epub 2014 Aug 6. [PubMed:25108860 ]
- Lu J, Antunes Fernandes E, Paez Cano AE, Vinitwatanakhun J, Boeren S, van Hooijdonk T, van Knegsel A, Vervoort J, Hettinga KA: Changes in milk proteome and metabolome associated with dry period length, energy balance, and lactation stage in postparturient dairy cows. J Proteome Res. 2013 Jul 5;12(7):3288-96. doi: 10.1021/pr4001306. Epub 2013 Jun 5. [PubMed:23738862 ]
- Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. [PubMed:25599412 ]
- Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. [PubMed:28306241 ]
- O'Callaghan TF, Vazquez-Fresno R, Serra-Cayuela A, Dong E, Mandal R, Hennessy D, McAuliffe S, Dillon P, Wishart DS, Stanton C, Ross RP: Pasture Feeding Changes the Bovine Rumen and Milk Metabolome. Metabolites. 2018 Apr 6;8(2). pii: metabo8020027. doi: 10.3390/metabo8020027. [PubMed:29642378 ]
- Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. [PubMed:29291809 ]
- A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
- Fooddata+, The Technical University of Denmark (DTU) [Link]
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