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CHEBI:184861 - OKOHA-PI

ChEBI IDCHEBI:184861
ChEBI NameOKOHA-PI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H57O15P
Net Charge0
Average Mass736.789
Monoisotopic Mass736.34351
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCC(=O)/C=C/C=O
InChIInChI=1S/C34H57O15P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(37)46-23-26(48-28(38)21-20-25(36)18-17-22-35)24-47-50(44,45)49-34-32(42)30(40)29(39)31(41)33(34)43/h9-10,17-18,22,26,29-34,39-43H,2-8,11-16,19-21,23-24H2,1H3,(H,44,45)/b10-9-,18-17+/t26-,29?,30-,31?,32?,33?,34?/m1/s1
InChIKeyVKIRESWKTTXAND-VPHYDABXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OKOHA-PI (CHEBI:184861) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-2-[(E)-4,7-dioxohept-5-enoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (Z)-octadec-9-enoate
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