EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C46H84NO7P |
| Net Charge | 0 |
| Average Mass | 794.152 |
| Monoisotopic Mass | 793.59854 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC(CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
| InChI | InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,38,41,45H,6-7,9,11-13,15,17-19,21,23-24,26,28-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,41-38- |
| InChIKey | YPAPIRJFGNBODV-AMFPDOHCSA-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-18:0/20:4(8Z,11Z,14Z,17Z)) (CHEBI:89955) is a glycerophosphocholine (CHEBI:36313) |
| Synonyms | Source |
|---|---|
| 1-(1-Enyl-stearoyl)-2-eicsoate | HMDB |
| 1-(1-Enyl-stearoyl)-2-eicsoatetraenoyl-sn-glycero-3-phosphocholine | HMDB |
| PC(18:0/20:4) | HMDB |
| Phosphatidylcholine(38:4) | HMDB |
| Phosphatidylcholine(18:0/20:4) | HMDB |
| Lecithin | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0011254 | HMDB |
| Citations |
|---|