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Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:19:58 UTC |
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Update Date | 2020-06-04 21:18:06 UTC |
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BMDB ID | BMDB0000131 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Glycerol |
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Description | Glycerol, also known as glycerin or glycyl alcohol, belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. Glycerol exists as a liquid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. Glycerol exists in all living species, ranging from bacteria to humans. In cattle, glycerol is involved in the metabolic pathway called phospholipid biosynthesis pathway. Glycerol is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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1,2,3-Propanetriol | ChEBI | 1,2,3-Trihydroxypropane | ChEBI | Glycerin | ChEBI | Glycerine | ChEBI | Glyceritol | ChEBI | Glycerolum | ChEBI | Glycyl alcohol | ChEBI | Glyzerin | ChEBI | Gro | ChEBI | Oelsuess | ChEBI | Propanetriol | ChEBI | Trihydroxypropane | ChEBI | Concentrated glycerin | Kegg | Glycerin, concentrated | Kegg | Bulbold | HMDB | Cristal | HMDB | e 422 | HMDB | Emery 916 | HMDB | Glyceol opthalgan | HMDB | Glyrol | HMDB | Glysanin | HMDB | IFP | HMDB | Incorporation factor | HMDB | Mackstat H 66 | HMDB | Osmoglyn | HMDB | Pricerine 9091 | HMDB | RG-S | HMDB | Tryhydroxypropane | HMDB | 2,5-Dihydroxyphenylacetic acid | HMDB | 2-(3,6-DIHYDROXYPHENYL)acetIC ACID | HMDB | 2,5-Dihydroxyphenylacetate | HMDB | 2-(3,6-DIHYDROXYPHENYL)acetate | HMDB | Homogentisate | HMDB | (2,5-Dihydroxyphenyl)-acetate | HMDB | (2,5-Dihydroxyphenyl)-acetic acid | HMDB | 2,5-Dihydroxy-a-toluate | HMDB | 2,5-Dihydroxy-a-toluic acid | HMDB | 2,5-Dihydroxy-alpha-toluate | HMDB | 2,5-Dihydroxy-alpha-toluic acid | HMDB | 2,5-Dihydroxy-benzeneacetate | HMDB | 2,5-Dihydroxy-benzeneacetic acid | HMDB | Alcapton | HMDB | Homogentisate acid | HMDB | Homogentisinate | HMDB | Homogentisinic acid | HMDB | Melanic acid | HMDB | Acid, homogentisic | HMDB | GlcAa | HMDB | GlcAalpha | HMDB | D-Glucuronate | HMDB | alpha-D-Glucopyranuronic acid | HMDB | alpha-D-Glucuronic acid | HMDB | alpha-delta-Glucopyranuronic acid | HMDB | alpha-delta-Glucuronic acid | HMDB | D-(+)-Glucuronate | HMDB | D-(+)-Glucuronic acid | HMDB | delta-(+)-Glucuronate | HMDB | delta-(+)-Glucuronic acid | HMDB | delta-Glucuronate | HMDB | GCU | HMDB | Glucosiduronate | HMDB | Glucosiduronic acid | HMDB | Glucuronate | HMDB | Glucuronic acid | HMDB | (2E)-2-Butenedioic acid | HMDB | (e)-2-Butenedioic acid | HMDB | e297 | HMDB | Fumarsaeure | HMDB | trans-1,2-Ethylenedicarboxylic acid | HMDB | trans-But-2-enedioic acid | HMDB | trans-Butenedioic acid | HMDB | (2E)-2-Butenedioate | HMDB | (e)-2-Butenedioate | HMDB | trans-1,2-Ethylenedicarboxylate | HMDB | trans-But-2-enedioate | HMDB | trans-Butenedioate | HMDB | Fumarate | HMDB | (2E)-But-2-enedioate | HMDB | (2E)-But-2-enedioic acid | HMDB | 2-(e)-Butenedioate | HMDB | 2-(e)-Butenedioic acid | HMDB | Allomaleate | HMDB | Allomaleic acid | HMDB | Boletate | HMDB | Boletic acid | HMDB | FC 33 | HMDB | Lichenate | HMDB | Lichenic acid | HMDB | Sodium fumarate | HMDB | trans-2-Butenedioate | HMDB | trans-2-Butenedioic acid | HMDB | Furamag | HMDB | Ammonium fumarate | HMDB | Magnesium fumarate | HMDB | Mafusol | HMDB |
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Chemical Formula | C3H8O3 |
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Average Molecular Weight | 92.0938 |
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Monoisotopic Molecular Weight | 92.047344122 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 56-81-5 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 |
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InChI Key | PEDCQBHIVMGVHV-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Sugar alcohols |
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Alternative Parents | |
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Substituents | - Sugar alcohol
- Secondary alcohol
- Polyol
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- 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
- Mitochondria
- Myelin sheath
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Physical Properties |
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State | Liquid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | 20 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 1000.0 mg/mL | Not Available | LogP | -1.76 | HANSCH,C ET AL. (1995) |
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Predicted Properties | Not Available |
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Spectra |
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Spectra | |
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Biological Properties |
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Cellular Locations | - Cytoplasm
- Mitochondria
- Myelin sheath
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Biospecimen Locations | - Adipose Tissue
- Bladder
- Blood
- Brain
- Colostrum
- Epidermis
- Kidney
- Liver
- Longissimus Thoracis Muscle
- Milk
- Muscle
- Neuron
- Pancreas
- Placenta
- Prostate Tissue
- Ruminal Fluid
- Semen
- Semimembranosus Muscle
- Spleen
- Testis
- Thyroid Gland
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Pathways | |
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Normal Concentrations |
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Adipose Tissue | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Bladder | 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 | 314 +/- 38 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 | Brain | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Colostrum | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Epidermis | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Kidney | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Liver | Detected and Quantified | 6219 +/- 1151 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 | 328 +/- 210 nmol/g of tissue | 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 | 1401.6 +/- 53.77 uM | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 1515.35 +/- 117.81 uM | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 1732.09 +/- 101.1 uM | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 833-1833 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 | 903.03 +/- 70.49 uM | Not Specified | Not Specified | Normal | | details | Muscle | Detected and Quantified | 392-528 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Neuron | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Pancreas | Expected but not Quantified | Not Quantified | 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 | 200-310 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 99.1 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 148 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 170 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 93.9 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 685 +/- 231 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 144.04 +/- 54.94 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 157.7 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 236 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 265.5 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 144 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 158 +/- 11 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 236 +/- 61 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 265 +/- 71 uM | Not Specified | Not Specified | Normal | | details | Ruminal Fluid | Detected and Quantified | 144 +/- 55 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 | 326 +/- 174 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Spleen | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Testis | Detected and Quantified | 380 +/- 112 nmol/g of tissue | Not Specified | Not Specified | Normal | | details | Thyroid Gland | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details |
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Abnormal Concentrations |
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Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | All Mycobacterium avium subsp. paratuberculosis-infected | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | High dose Mycobacterium avium subsp. paratuberculosis-infected | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Low dose Mycobacterium avium subsp. paratuberculosis-infected | | details | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Mycobacterium avium subsp. paratuberculosis infection | | details | Ruminal Fluid | Detected and Quantified | 265.46 +/- 68.57 uM | Not Specified | Not Specified | Rumen acidosis | | details |
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External Links |
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HMDB ID | HMDB0000131 |
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DrugBank ID | DB09462 |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB000756 |
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KNApSAcK ID | C00001163 |
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Chemspider ID | Not Available |
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KEGG Compound ID | C00116 |
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BioCyc ID | GLYCEROL |
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BiGG ID | Not Available |
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Wikipedia Link | Glycerol |
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METLIN ID | Not Available |
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PubChem Compound | 753 |
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PDB ID | Not Available |
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ChEBI ID | 17754 |
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References |
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Synthesis Reference | Yang, Yifang. Purification of glycerol. Faming Zhuanli Shenqing Gongkai Shuomingshu (2007), 3pp. |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - 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 ]
- Sun HZ, Shi K, Wu XH, Xue MY, Wei ZH, Liu JX, Liu HY: Lactation-related metabolic mechanism investigated based on mammary gland metabolomics and 4 biofluids' metabolomics relationships in dairy cows. BMC Genomics. 2017 Dec 2;18(1):936. doi: 10.1186/s12864-017-4314-1. [PubMed:29197344 ]
- Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff and John A. Ryals (2009). Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff, John A. Ryals. Characterization of the biochemical variability of bovine milk using metabolomics. Metabolomics (2009) 5:375-386 doi: 10.1007/s11306-009-0160-8. Metabolomics.
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