EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C38H68NO10P |
| Net Charge | 0 |
| Average Mass | 729.933 |
| Monoisotopic Mass | 729.45808 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O |
| InChI | InChI=1S/C38H68NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,34-35H,3-4,6,8-10,12,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b7-5-,13-11-,17-16-/t34-,35+/m1/s1 |
| InChIKey | QLJZCKICKVUGKY-LDEMPGCNSA-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(14:0/18:3(9Z,12Z,15Z)) (CHEBI:191666) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[hydroxy-[(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-tetradecanoyloxypropoxy]phosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 35032442 | ChemSpider |
| HMDB0012337 | HMDB |
| LMGP03010926 | LIPID MAPS |