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CHEBI:186381 - PI(P-20:0/19:1(9Z))

ChEBI IDCHEBI:186381
ChEBI NamePI(P-20:0/19:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H91O12P
Net Charge0
Average Mass891.218
Monoisotopic Mass890.62481
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C48H91O12P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-57-39-41(40-58-61(55,56)60-48-46(53)44(51)43(50)45(52)47(48)54)59-42(49)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,36,38,41,43-48,50-54H,3-19,21-22,24-35,37,39-40H2,1-2H3,(H,55,56)/b23-20-,38-36-/t41-,43?,44-,45?,46?,47?,48?/m1/s1
InChIKeyIVNODSBMCTWFSC-JNECISJDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PI(P-20:0/19:1(9Z)) (CHEBI:186381) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (Z)-nonadec-9-enoate
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