EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C44H84NO7P |
| Net Charge | 0 |
| Average Mass | 770.130 |
| Monoisotopic Mass | 769.59854 |
| SMILES | [H][C@@](COCCCCCCCCCC/C=C\CCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,43H,6-14,19-20,22,24-42H2,1-5H3/b17-15-,18-16-,23-21-/t43-/m1/s1 |
| InChIKey | KBRIWDRDGVERBB-VXKJXORPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| saliva (UBERON:0001836) | Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)) | ||
| urine (BTO:0001419) | PubMed (24023812) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(o-18:1(11Z)/18:2(9Z,12Z)) (CHEBI:89879) is a glycerophosphocholine (CHEBI:36313) |
| Synonyms | Source |
|---|---|
| GPCho(18:1w7/18:2w6) | HMDB |
| Phosphatidylcholine(18:1w7/18:2w6) | HMDB |
| GPCho(18:1n7/18:2n6) | HMDB |
| GPCho(36:3) | HMDB |
| trimethyl(2-{[(2R)-3-[(11Z)-octadec-11-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)azanium | HMDB |
| PC(36:3) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0013425 | HMDB |
| Citations |
|---|