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CHEBI:187797 - PI(13:0/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:187797
ChEBI NamePI(13:0/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71O13P
Net Charge0
Average Mass790.969
Monoisotopic Mass790.46323
SMILESCC/C=C\C/C=C\C/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/C40H71O13P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(42)52-32(30-50-33(41)28-26-24-22-20-14-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(43)37(45)39(40)47/h5,7,11,13,16-17,32,35-40,43-47H,3-4,6,8-10,12,14-15,18-31H2,1-2H3,(H,48,49)/b7-5-,13-11-,17-16-/t32-,35?,36-,37?,38?,39?,40?/m1/s1
InChIKeyQCJBJUASOQMXQD-ISGGUUIZSA-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(13:0/18:3(9Z,12Z,15Z)) (CHEBI:187797) is a phosphatidylinositol (CHEBI:28874)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
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LMGP06010048LIPID MAPS