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CHEBI:77163 - 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)

ChEBI IDCHEBI:77163
ChEBI Name1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)
Stars
ASCII Name1-stearoyl-2-oleoyl-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 oleoyl.
Last Modified17 February 2014
Submitterlaimo
DownloadsMolfile
FormulaC45H84O13P
Net Charge-1
Average Mass864.128
Monoisotopic Mass863.56550
SMILESCCCCCCCC/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/C45H85O13P/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/h18,20,37,40-45,48-52H,3-17,19,21-36H2,1-2H3,(H,53,54)/p-1/b20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
InChIKeyYOBFISPJJWPPTK-BAAZTTAESA-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-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77163) is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:65055)
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77163) is conjugate base of 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77346)
Incoming Relation(s)
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77346) is conjugate acid of 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77163)
IUPAC Name 
(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)SUBMITTER
1-stearoyl-2-oleoyl-phosphatidylinositol(1−)SUBMITTER
18:0/18:1(ω-9) PtdIns(1−)SUBMITTER
PI 18:0/18:1(ω-9)(1−)SUBMITTER
UniProt Name  Source
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phospho-1D-myo-inositolUniProt
Manual XrefsDatabases
CPD-8324MetaCyc