EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C38H70NO10P |
| Net Charge | 0 |
| Average Mass | 731.949 |
| Monoisotopic Mass | 731.47373 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C38H70NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-19-16-14-12-10-8-6-4-2/h9,11,15,17,34-35H,3-8,10,12-14,16,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b11-9-,17-15-/t34-,35+/m1/s1 |
| InChIKey | DBTOZHFBGMHQOG-WIKBMPJXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| 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) |
| PS(17:2(9Z,12Z)/15:0) (CHEBI:184856) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 113376239 | ChemSpider |
| LMGP03010282 | LIPID MAPS |