EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C44H82NO7P |
| Net Charge | 0 |
| Average Mass | 768.114 |
| Monoisotopic Mass | 767.58289 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C44H82NO7P/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/h9,11,15,17,21,23,36,39,43H,6-8,10,12-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,23-21-,39-36- |
| InChIKey | PYVYDRMXPDZRIS-FINMKEMFSA-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(P-18:0/18:3(9Z,12Z,15Z)) (CHEBI:89969) is a glycerophosphocholine (CHEBI:36313) |
| Synonyms | Source |
|---|---|
| Phosphatidylcholine(36:3) | HMDB |
| Lecithin | HMDB |
| PC(36:3) | HMDB |
| 1-(1-Enyl-stearoyl)-2-alpha-linolenoyl-sn-glycero-3-phosphocholine | HMDB |
| 1-(1-Enyl-stearoyl)-2-a-linolenoyl-sn-glycero-3-phosphocholine | HMDB |
| PC(18:0/18:3w3) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0011246 | HMDB |
| Citations |
|---|