EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C41H78NO10P |
| Net Charge | 0 |
| Average Mass | 776.046 |
| Monoisotopic Mass | 775.53633 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O |
| InChI | InChI=1S/C41H78NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(44)52-37(35-50-53(47,48)51-36-38(42)41(45)46)34-49-39(43)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,37-38H,3-16,19-36,42H2,1-2H3,(H,45,46)(H,47,48)/b18-17-/t37-,38+/m1/s1 |
| InChIKey | NKZWGEOQHLXNDU-CHMOTEOASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Solanum tuberosum (ncbitaxon:4113) | leaf (BTO:0000713) | MetaboLights (MTBLS4365) |
| 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(15:0/20:1(11Z)) (CHEBI:191544) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 74875731 | ChemSpider |
| HMDB0112285 | HMDB |
| LMGP03010151 | LIPID MAPS |