EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C47H82NO8P |
| Net Charge | 0 |
| Average Mass | 820.146 |
| Monoisotopic Mass | 819.57781 |
| SMILES | [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
| InChI | InChI=1S/C47H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28,30,34,36,45H,6-7,9,11-13,15,17-19,21,23,26-27,29,31-33,35,37-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,30-28-,36-34-/t45-/m1/s1 |
| InChIKey | KSRURLYJRNYEOH-SHHFQLSYSA-N |
| Roles Classification |
|---|
| Biological Roles: | Papio hamadryas metabolite Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas. Caenorhabditis elegans metabolite A nematode metabolite produced by Caenorhabditis elegans. Caenorhabditis elegans metabolite A nematode metabolite produced by Caenorhabditis elegans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:137197) is a phosphatidylcholine (17:0/22:6) (CHEBI:136059) |
| Synonym | Source |
|---|---|
| 1-heptadecanoyl-2-((4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl)-sn-glycero-3-phosphocholine | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMGP01010720 | LIPID MAPS |