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CHEBI:186262 - LPIM2(18:2(9Z,12Z)/0:0)

ChEBI IDCHEBI:186262
ChEBI NameLPIM2(18:2(9Z,12Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H69O22P
Net Charge0
Average Mass920.933
Monoisotopic Mass920.40181
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC1C(O[C@@H]2OC(CO)[C@H](O)C(O)[C@@H]2O)C(O)C(O)C(O)[C@H]1O[C@H]1OC(CO)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C39H69O22P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(43)55-20-22(42)21-56-62(53,54)61-37-35(59-38-33(51)28(46)26(44)23(18-40)57-38)31(49)30(48)32(50)36(37)60-39-34(52)29(47)27(45)24(19-41)58-39/h6-7,9-10,22-24,26-42,44-52H,2-5,8,11-21H2,1H3,(H,53,54)/b7-6-,10-9-/t22-,23?,24?,26-,27+,28?,29?,30?,31?,32?,33-,34+,35-,36?,37?,38-,39+/m1/s1
InChIKeyGNOFFHNCVJXYAN-IQRSOBGISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
LPIM2(18:2(9Z,12Z)/0:0) (CHEBI:186262) is a 1-acylglycerophosphoinositol (CHEBI:16617)
IUPAC Name 
[(2R)-2-hydroxy-3-[hydroxy-[(6R)-3,4,5-trihydroxy-2-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyphosphoryl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Manual XrefsDatabases
LMGP15040013LIPID MAPS