EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H59O12P |
| Net Charge | 0 |
| Average Mass | 654.775 |
| Monoisotopic Mass | 654.37441 |
| SMILES | CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O |
| InChI | InChI=1S/C31H59O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(33)41-22-24(32)23-42-44(39,40)43-31-29(37)27(35)26(34)28(36)30(31)38/h11-12,24,26-32,34-38H,2-10,13-23H2,1H3,(H,39,40)/b12-11-/t24-,26?,27-,28?,29?,30?,31?/m1/s1 |
| InChIKey | BDIUNBUZQYYDQG-IIEYDBMKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | serum (BTO:0001239) | MetaboLights (MTBLS3725) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PI(22:1(11Z)/0:0) (CHEBI:184193) is a 1-acylglycerophosphoinositol (CHEBI:16617) |
| IUPAC Name |
|---|
| [(2R)-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-docos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| LMGP06050022 | LIPID MAPS |