EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C27H50NO7P |
| Net Charge | 0 |
| Average Mass | 531.671 |
| Monoisotopic Mass | 531.33249 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C27H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28(2,3)4/h6-7,9-10,12-13,26,29H,5,8,11,14-25H2,1-4H3/b7-6-,10-9-,13-12-/t26-/m1/s1 |
| InChIKey | YWILQZMMAROEQS-MQIAJVHNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | serum (BTO:0001239) | MetaboLights (MTBLS3725) |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(19:3(10Z,13Z,16Z)/0:0) (CHEBI:184217) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168) |
| IUPAC Name |
|---|
| [(2R)-2-hydroxy-3-[(10Z,13Z,16Z)-nonadeca-10,13,16-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| 24823001 | ChemSpider |
| LMGP01050003 | LIPID MAPS |