EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C42H78NO10P |
| Net Charge | 0 |
| Average Mass | 788.057 |
| Monoisotopic Mass | 787.53633 |
| SMILES | CCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCC/C=C\CCCCCCCCC |
| InChI | InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h16,18-20,38-39H,3-15,17,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b18-16-,20-19-/t38-,39+/m1/s1 |
| InChIKey | VHAXUYFZWRZCHI-OQDXFGNVSA-N |
| 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(17:1(9Z)/19:1(9Z)) (CHEBI:178634) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[[(2R)-3-[(Z)-heptadec-9-enoyl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| LMGP03010265 | LIPID MAPS |