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CHEBI:186266 - PI(13:0/14:1(9Z))

ChEBI IDCHEBI:186266
ChEBI NamePI(13:0/14:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H67O13P
Net Charge0
Average Mass738.893
Monoisotopic Mass738.43193
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C36H67O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(38)48-28(26-46-29(37)24-22-20-18-16-14-12-10-8-6-4-2)27-47-50(44,45)49-36-34(42)32(40)31(39)33(41)35(36)43/h9,11,28,31-36,39-43H,3-8,10,12-27H2,1-2H3,(H,44,45)/b11-9-/t28-,31?,32-,33?,34?,35?,36?/m1/s1
InChIKeyMSPBRDPIUVTMOT-NDPKCYPSSA-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(13:0/14:1(9Z)) (CHEBI:186266) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
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LMGP06010038LIPID MAPS