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CHEBI:186338 - PI(P-16:0/17:2(9Z,12Z))

ChEBI IDCHEBI:186338
ChEBI NamePI(P-16:0/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H77O12P
Net Charge0
Average Mass805.040
Monoisotopic Mass804.51526
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C42H77O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(43)53-35(33-51-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-52-55(49,50)54-42-40(47)38(45)37(44)39(46)41(42)48/h9,11,15,17,30,32,35,37-42,44-48H,3-8,10,12-14,16,18-29,31,33-34H2,1-2H3,(H,49,50)/b11-9-,17-15-,32-30-/t35-,37?,38-,39?,40?,41?,42?/m1/s1
InChIKeyAQEIFQYSJZJGCS-BOTUGSDTSA-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-16:0/17:2(9Z,12Z)) (CHEBI:186338) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-[(Z)-hexadec-1-enoxy]-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
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