EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C46H86NO7P |
| Net Charge | 0 |
| Average Mass | 796.168 |
| Monoisotopic Mass | 795.61419 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,38,41,45H,6-13,15,17-19,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b16-14-,22-20-,27-25-,41-38- |
| InChIKey | IMISCMOUPRVKCY-JCOVWSEZSA-N |
| Wikipedia |
|---|
| 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(20:3(8Z,11Z,14Z)/P-18:0) (CHEBI:88886) is a glycerophosphocholine (CHEBI:36313) |
| Synonyms | Source |
|---|---|
| GPCho(38:3) | HMDB |
| Phosphatidylcholine(20:3n6/18:0) | HMDB |
| PC(20:3/18:0) | HMDB |
| GPCho(20:3n6/18:0) | HMDB |
| Phosphatidylcholine(20:3/18:0) | HMDB |
| GPCho(20:3w6/18:0) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| Lecithin | Wikipedia |
| HMDB0008423 | HMDB |
| PHOSPHATIDYLCHOLINE | MetaCyc |
| Citations |
|---|