EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C49H85O13P |
| Net Charge | 0 |
| Average Mass | 913.180 |
| Monoisotopic Mass | 912.57278 |
| SMILES | [H]OC1([H])C([H])(O[H])[C@]([H])(OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])/C([H])=C(/[H])C([H])([H])/C([H])=C(/[H])C([H])([H])/C([H])=C(/[H])C([H])([H])/C([H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])/C([H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(O[H])[C@]([H])(O[H])C1([H])O[H] |
| InChI | InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,41,44-49,52-56H,3-5,7,9-11,13,15-16,21-23,25,27-40H2,1-2H3,(H,57,58)/b8-6-,14-12-,19-17-,20-18-,26-24-/t41-,44?,45-,46?,47?,48?,49-/m1/s1 |
| InChIKey | QUFNTZNEDJYRSX-SYZJQODJSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood (UBERON:0000178) | PubMed (20671299) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PI(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:89151) is a phosphatidylinositol (CHEBI:28874) |
| Synonyms | Source |
|---|---|
| [(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid | HMDB |
| PI(20:1n9/20:4n3) | HMDB |
| 1-Eicosenoyl-2-eicsoic acid | HMDB |
| Phosphatidylinositol(20:1w9/20:4w3) | HMDB |
| PIno(20:1w9/20:4w3) | HMDB |
| 1-Eicosenoyl-2-eicsoatetraenoyl-sn-glycero-3-phosphoinositol | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0009874 | HMDB |
| Phosphatidylinositols | MetaCyc |
| Lecithin | Wikipedia |
| Citations |
|---|