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CHEBI:186300 - OKODA-PI

ChEBI IDCHEBI:186300
ChEBI NameOKODA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H67O15P
Net Charge0
Average Mass806.924
Monoisotopic Mass806.42176
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC(=O)/C=C/C=O
InChIInChI=1S/C39H67O15P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-32(42)51-28-31(53-33(43)26-21-18-15-16-19-23-30(41)24-22-27-40)29-52-55(49,50)54-39-37(47)35(45)34(44)36(46)38(39)48/h9-10,22,24,27,31,34-39,44-48H,2-8,11-21,23,25-26,28-29H2,1H3,(H,49,50)/b10-9-,24-22+/t31-,34?,35-,36?,37?,38?,39?/m1/s1
InChIKeyRRBQZUDFMTXZPR-DIKVSTQTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OKODA-PI (CHEBI:186300) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(E)-9,12-dioxododec-10-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20050033LIPID MAPS