EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C47H83O13P |
| Net Charge | 0 |
| Average Mass | 887.142 |
| Monoisotopic Mass | 886.55713 |
| SMILES | [H][C@@](COC(=O)CCCCCCC/C=C\CCCCCCCC)(COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
| InChI | InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,39,42-47,50-54H,3-16,20,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b19-17-,21-18-,24-22-,30-28-/t39-,42?,43-,44?,45?,46?,47-/m1/s1 |
| InChIKey | UAMKTZVXBAQZPT-UUMWKJOESA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood (UBERON:0000178) | PubMed (20671299) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PI(18:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:88643) is a phosphatidylinositol (CHEBI:28874) |
| Synonyms | Source |
|---|---|
| PIno(18:1w9/20:3w9) | HMDB |
| Phosphatidylinositol(18:1w9/20:3w9) | HMDB |
| 1-Oleoyl-2-meadoyl-sn-glycero-3-phosphoinositol | HMDB |
| Phosphatidylinositol(38:4) | HMDB |
| PIno(18:1/20:3) | HMDB |
| Phosphatidylinositol(18:1n9/20:3n9) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| Lecithin | Wikipedia |
| HMDB0009842 | HMDB |
| Phosphatidylinositols | MetaCyc |
| Citations |
|---|