EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192230 - PIP(18:0/18:1(11Z))

ChEBI IDCHEBI:192230
ChEBI NamePIP(18:0/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H86O16P2
Net Charge0
Average Mass945.115
Monoisotopic Mass944.53911
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O
InChIInChI=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/h14,16,37,40-45,48-51H,3-13,15,17-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b16-14-/t37-,40?,41?,42?,43?,44-,45+/m1/s1
InChIKeyUZWGFITUPMCWTF-XCZXHHKLSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
PIP(18:0/18:1(11Z)) (CHEBI:192230) is a glycerophosphoinositol phosphate (CHEBI:35771)
IUPAC Name 
[(2R)-3-[hydroxy-[(1S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] octadecanoate
Manual XrefsDatabases
24767830ChemSpider
HMDB0009949HMDB