Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:47:58 UTC |
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Update Date | 2020-05-11 20:55:44 UTC |
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BMDB ID | BMDB0001721 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | DL-O-Phosphoserine |
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Description | DL-O-Phosphoserine, also known as DL-O-phosphorylserine or DL-O-serine phosphate, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). DL-O-Phosphoserine is a very strong basic compound (based on its pKa). DL-O-Phosphoserine exists in all living species, ranging from bacteria to humans. |
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Structure | |
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Synonyms | Value | Source |
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2-Amino-3-(phosphonooxy)propanoic acid | ChEBI | DL-Serine dihydrogen phosphate | ChEBI | DL-Serine, dihydrogen phosphate (ester) | ChEBI | Phosphoserine | ChEBI | 2-Amino-3-(phosphonooxy)propanoate | Generator | DL-Serine dihydrogen phosphoric acid | Generator | DL-Serine, dihydrogen phosphoric acid (ester) | Generator | 3-Phospho-1-serine | HMDB | 3-Phospho-serine | HMDB | 3-Phosphoserine | HMDB | DL-O-Phosphorylserine | HMDB | DL-O-Serine phosphate | HMDB | DL-Serine monophosphorate | HMDB | DL-Serine monophosphoric acid | HMDB | Energoserina | HMDB | O-Phospho-DL-serine | HMDB | O-Phospho-L-serine | HMDB | O-Phosphonoserine | HMDB | p-Serine | HMDB | Phosphorylserine | HMDB | Serine phosphate | HMDB | Serine-3-phosphate | HMDB | Serophen | HMDB | Phosphate, seryl | HMDB | Seryl phosphate | HMDB | Phosphate, serine | HMDB |
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Chemical Formula | C3H8NO6P |
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Average Molecular Weight | 185.0725 |
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Monoisotopic Molecular Weight | 185.008923505 |
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IUPAC Name | 2-amino-3-(phosphonooxy)propanoic acid |
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Traditional Name | P-serine |
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CAS Registry Number | 17885-08-4 |
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SMILES | NC(COP(O)(O)=O)C(O)=O |
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InChI Identifier | InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9) |
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InChI Key | BZQFBWGGLXLEPQ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). |
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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 | Alpha amino acids |
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Alternative Parents | |
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Substituents | - Alpha-amino acid
- Phosphoethanolamine
- Monoalkyl phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Amino acid
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Primary amine
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Amine
- 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 | Expected but not 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 | |
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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 | 228 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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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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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-9200000000-579f933727173ebf1101 | View in MoNA |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-0006-6900000000-fbaee5e7f89c1dcb6669 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated) | splash10-000i-9000000000-07c4d8f30a6ca83b8b55 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated) | splash10-00dr-9000000000-c5a74679d970f7b6e2d5 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated) | splash10-0006-9000000000-1d94e50890f1499da7f4 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , negative | splash10-0002-9000000000-64c49953b5b27ea372c6 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-000i-9300000000-2adf6419e88c778446e9 | View in MoNA |
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LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-000i-9200000000-04bb0aee57d7fffbcaa7 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000l-9800000000-672ba3fb65a9cac25044 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9300000000-e63c25df326283cc3b7f | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-dbc8b3072add030d1711 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-003r-9800000000-10234b7ff1b336489a5a | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9100000000-8a4c753dfa69ac6720e0 | View in MoNA |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-ebe13ec0e44d8c4f4771 | View in MoNA |
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1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
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2D NMR | [1H,13C] 2D NMR Spectrum | Not Available | View in JSpectraViewer |
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