EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C52H88NO8P |
| Net Charge | 0 |
| Average Mass | 886.249 |
| Monoisotopic Mass | 885.62476 |
| SMILES | [H][C@@](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C52H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,26,28,32,34,38,40,50H,6-7,9,11-13,18-19,24-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,28-26-,34-32-,40-38-/t50-/m1/s1 |
| InChIKey | SFVZXPPFJCSDPE-PIWMHFGDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) (CHEBI:145320) is a PC(22:6/22:2) (CHEBI:145319) |
| Synonym | Source |
|---|---|
| PC 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z) | SUBMITTER |
| Manual Xrefs | Databases |
|---|---|
| HMDB0008744 | HMDB |
| LMGP01012124 | LIPID MAPS |