EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C45H86NO10P |
| Net Charge | 0 |
| Average Mass | 832.154 |
| Monoisotopic Mass | 831.59893 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O |
| InChI | InChI=1S/C45H86NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(48)56-41(39-54-57(51,52)55-40-42(46)45(49)50)38-53-43(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,41-42H,3-16,19-40,46H2,1-2H3,(H,49,50)(H,51,52)/b18-17-/t41-,42+/m1/s1 |
| InChIKey | SVBJOAJMJMPNJC-HFBPHNSTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood serum (BTO:0000133) | MetaboLights (MTBLS2150) |
| 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(15:0/24:1(15Z)) (CHEBI:180877) is a phosphatidyl-L-serine (CHEBI:18303) |
| IUPAC Name |
|---|
| (2S)-2-amino-3-[hydroxy-[(2R)-3-pentadecanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 74875786 | ChemSpider |
| HMDB0112341 | HMDB |