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CHEBI:186106 - PI(14:0/18:2(9Z,12Z))

ChEBI IDCHEBI:186106
ChEBI NamePI(14:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H75O13P
Net Charge0
Average Mass807.012
Monoisotopic Mass806.49453
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h11,13,16-17,33,36-41,44-48H,3-10,12,14-15,18-32H2,1-2H3,(H,49,50)/b13-11-,17-16-/t33-,36?,37-,38?,39?,40?,41?/m1/s1
InChIKeyHEHYVPSBIKENMC-ABOOGTQASA-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(14:0/18:2(9Z,12Z)) (CHEBI:186106) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
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