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CHEBI:186707 - PI(17:2(9Z,12Z)/14:1(9Z))

ChEBI IDCHEBI:186707
ChEBI NamePI(17:2(9Z,12Z)/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71O13P
Net Charge0
Average Mass790.969
Monoisotopic Mass790.46323
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC/C=C\CCCC
InChIInChI=1S/C40H71O13P/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-33(41)50-30-32(52-34(42)29-27-25-23-21-18-14-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47/h9-12,15-16,32,35-40,43-47H,3-8,13-14,17-31H2,1-2H3,(H,48,49)/b11-9-,12-10-,16-15-/t32-,35?,36-,37?,38?,39?,40?/m1/s1
InChIKeyAVRQLZGTQZROFD-ZZZADKIXSA-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(17:2(9Z,12Z)/14:1(9Z)) (CHEBI:186707) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (9Z,12Z)-heptadeca-9,12-dienoate
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