EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C46H80NO8P |
| Net Charge | 0 |
| Average Mass | 806.119 |
| Monoisotopic Mass | 805.56216 |
| SMILES | [H][C@@](COC(=O)CCCCCCC/C=C\CCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
| InChI | InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23-24,27,29,44H,6-7,9,11-13,15,18,22,25-26,28,30-43H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,24-23-,29-27-/t44-/m1/s1 |
| InChIKey | WNHOGFDQJFYPDE-GBGUCBAQSA-N |
| Wikipedia |
|---|
| 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(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:89655) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) |
| Synonyms | Source |
|---|---|
| Phosphatidylcholine(16:1w7/22:5w3) | HMDB |
| Phosphatidylcholine(16:1n7/22:5n3) | HMDB |
| Phosphatidylcholine(16:1/22:5) | HMDB |
| (2-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium | HMDB |
| PC(16:1n7/22:5n3) | HMDB |
| GPCho(16:1n7/22:5n3) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0008024 | HMDB |
| PHOSPHATIDYLCHOLINE | MetaCyc |
| Lecithin | Wikipedia |
| Citations |
|---|