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CHEBI:77158 - 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)

ChEBI IDCHEBI:77158
ChEBI Name1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)
Stars
ASCII Name1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-)
DefinitionA 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) in which the 2-acyl group is specified as linoleoyl.
Last Modified4 October 2016
Submitterlaimo
DownloadsMolfile
FormulaC45H82O13P
Net Charge-1
Average Mass862.112
Monoisotopic Mass861.54985
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/p-1/b14-12-,20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
InChIKeyKZVRAFHIKMDULK-HAVSRZFESA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77158) is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:65055)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77158) is a phosphatidylinositol 36:3(1−) (CHEBI:91036)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77158) is conjugate base of 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77343)
Incoming Relation(s)
1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77343) is conjugate acid of 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77158)
IUPAC Name 
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol (1−)SUBMITTER
18:0/18:2(ω-6) PtdIns(1−)SUBMITTER
1-stearoyl-2-linoleoyl-phosphatidylinositol(1−)SUBMITTER
PI 18:0/18:2(ω-6)(1−)SUBMITTER
PI(18:1/18:2)ChEBI
GPI(18:1/18:2)ChEBI
UniProt Name  Source
1-octadecanoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositolUniProt
Manual XrefsDatabases
CPD-8325MetaCyc