EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:192231 - PIP(18:1(11Z)/18:0)
| Formula | C45H86O16P2 |
| Net Charge | 0 |
| Average Mass | 945.115 |
| Monoisotopic Mass | 944.53911 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h13,15,37,40-45,48-51H,3-12,14,16-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b15-13-/t37-,40?,41?,42?,43?,44-,45+/m1/s1 |
| InChIKey | QLAFCMPTICKMJT-RGIMSVJPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Marine plankton environmental sample (ncbitaxon:632957) | - | MetaboLights (MTBLS4424) | Found in endometabolome. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PIP(18:1(11Z)/18:0) (CHEBI:192231) is a glycerophosphoinositol phosphate (CHEBI:35771) |
| IUPAC Name |
|---|
| [(2R)-1-[hydroxy-[(1S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0009960 | HMDB |
| 24767841 | ChemSpider |