EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C31H54NO12P |
| Net Charge | 0 |
| Average Mass | 663.742 |
| Monoisotopic Mass | 663.33836 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCC(O)/C=C/C=O |
| InChI | InChI=1S/C31H54NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29(35)41-23-27(44-30(36)21-20-26(34)18-17-22-33)24-42-45(39,40)43-25-28(32)31(37)38/h9-10,17-18,22,26-28,34H,2-8,11-16,19-21,23-25,32H2,1H3,(H,37,38)(H,39,40)/b10-9-,18-17+/t26?,27-,28+/m1/s1 |
| InChIKey | AUTPHKIDHUHQAW-HVUHJFNISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | serum (BTO:0001239) | MetaboLights (MTBLS3725) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| OHOHA-PS (CHEBI:184265) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[hydroxy-[(2R)-2-[(E)-4-hydroxy-7-oxohept-5-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 113380905 | ChemSpider |
| LMGP20040027 | LIPID MAPS |