EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C27H56NO7P |
| Net Charge | 0 |
| Average Mass | 537.719 |
| Monoisotopic Mass | 537.37944 |
| SMILES | CCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O |
| InChI | InChI=1S/C27H56NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32-24-27(35-26(2)29)25-34-36(30,31)33-23-21-28(3,4)5/h27H,6-25H2,1-5H3/t27-/m1/s1 |
| InChIKey | NKQXYSXRVZRIRI-HHHXNRCGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | serum (BTO:0001239) | MetaboLights (MTBLS3725) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(O-17:0/2:0) (CHEBI:184242) is a alkylacylglycero-3-phosphocholine (CHEBI:78189) |
| IUPAC Name |
|---|
| [(2R)-2-acetyloxy-3-heptadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Manual Xrefs | Databases |
|---|---|
| LMGP01020078 | LIPID MAPS |
| 24822879 | ChemSpider |