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 | [H][C@@](COCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC |
| InChI | InChI=1S/C44H82NO7P/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/h8,10,14,16,20,22,24-25,43H,6-7,9,11-13,15,17-19,21,23,26-42H2,1-5H3/b10-8-,16-14-,22-20-,25-24-/t43-/m1/s1 |
| InChIKey | SOUZQPFUXRVDGK-KCTKZSJBSA-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-16:0/20:4(8Z,11Z,14Z,17Z)) (CHEBI:89903) is a glycerophosphocholine (CHEBI:36313) |
| Synonyms | Source |
|---|---|
| PC(O-36:4) | HMDB |
| PC(36:4) | HMDB |
| GPCho(16:0/20:4n3) | HMDB |
| PC ae C36:4 | HMDB |
| (2-{[(2R)-3-(hexadecyloxy)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium | HMDB |
| Lecithin | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0013407 | HMDB |
| Citations |
|---|