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CHEBI:185669 - PI(O-16:0/16:1(9Z))

ChEBI IDCHEBI:185669
ChEBI NamePI(O-16:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H79O12P
Net Charge0
Average Mass795.045
Monoisotopic Mass794.53091
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C41H79O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-50-32-34(33-51-54(48,49)53-41-39(46)37(44)36(43)38(45)40(41)47)52-35(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,34,36-41,43-47H,3-13,15,17-33H2,1-2H3,(H,48,49)/b16-14-/t34-,36?,37-,38?,39?,40?,41?/m1/s1
InChIKeyMENUSFCLFRBPIK-SDBYAFOLSA-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(O-16:0/16:1(9Z)) (CHEBI:185669) is a glycerophosphoinositol (CHEBI:36315)
IUPAC Name 
[(2R)-1-hexadecoxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (Z)-hexadec-9-enoate
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