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CHEBI:77139 - 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate(3−)

Default Structure
ChEBI IDCHEBI:77139
ChEBI Name1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate(3−)
Stars
ASCII Name1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate(3-)
DefinitionA 1-phosphatidyl-1D-myo-inositol 4-phosphate(3−) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate; major species at pH 7.3.
Last Modified7 February 2014
Submitterlaimo
DownloadsMolfile
FormulaC45H83O16P2
Net Charge-3
Average Mass942.091
Monoisotopic Mass941.51728
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](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C45H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)44(41(49)43(45)51)60-62(52,53)54/h18,20,37,40-45,48-51H,3-17,19,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b20-18-/t37-,40-,41+,42-,43-,44+,45+/m1/s1
InChIKeyHGTWQOJDTOGJCZ-OWWMKGAESA-K
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 4-phosphate(3−) (CHEBI:77139) is a 1-phosphatidyl-1D-myo-inositol 4-phosphate(3−) (CHEBI:58178)
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate(3−) (CHEBI:77139) is conjugate base of 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate (CHEBI:77277)
Incoming Relation(s)
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate (CHEBI:77277) is conjugate acid of 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate(3−) (CHEBI:77139)
IUPAC Name 
(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonatooxy)cyclohexyl phosphate
Synonyms  Source
18:0/18:1(ω-9) PtdIns 4P (3−)SUBMITTER
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate(3−)SUBMITTER
1-stearoyl-2-oleoyl-phosphatidylinositol 4-phosphate(3−)SUBMITTER
UniProt Name  Source
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphateUniProt