EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187747 - OKOOA-PI

ChEBI IDCHEBI:187747
ChEBI NameOKOOA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H59O15P
Net Charge0
Average Mass750.816
Monoisotopic Mass750.35916
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCC(=O)/C=C/C=O
InChIInChI=1S/C35H59O15P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(38)47-24-27(49-29(39)22-17-19-26(37)20-18-23-36)25-48-51(45,46)50-35-33(43)31(41)30(40)32(42)34(35)44/h9-10,18,20,23,27,30-35,40-44H,2-8,11-17,19,21-22,24-25H2,1H3,(H,45,46)/b10-9-,20-18+/t27-,30?,31-,32?,33?,34?,35?/m1/s1
InChIKeyXZXMEOQHWDLJPU-GDYNAGEDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OKOOA-PI (CHEBI:187747) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20050029LIPID MAPS