EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C44H88NO7P |
| Net Charge | 0 |
| Average Mass | 774.162 |
| Monoisotopic Mass | 773.62984 |
| SMILES | [H][C@@](COCCCCCCCC/C=C\CCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h17,19,43H,6-16,18,20-42H2,1-5H3/b19-17-/t43-/m1/s1 |
| InChIKey | NEMVGIRAGVGOLH-RPBJOJELSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (24023812) | ||
| saliva (UBERON:0001836) | Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(o-16:1(9Z)/20:0) (CHEBI:89893) is a glycerophosphocholine (CHEBI:36313) |
| Synonyms | Source |
|---|---|
| GPCho(36:1) | HMDB |
| PC(16:1w7/20:0) | HMDB |
| Phosphatidylcholine(16:1/20:0) | HMDB |
| GPCho(16:1n7/20:0) | HMDB |
| PC ae C36:1 | HMDB |
| (2-{[(2R)-3-[(9Z)-hexadec-9-en-1-yloxy]-2-(icosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0013414 | HMDB |
| Citations |
|---|