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CHEBI:77167 - 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3−)

ChEBI IDCHEBI:77167
ChEBI Name1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3−)
Stars
ASCII Name1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3-)
DefinitionA 1-phosphatidyl-1D-myo-inositol 5-phosphate(3−) obtained by deprotonation of the phosphate OH groups of 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate; major species at pH 7.3.
Last Modified17 February 2014
Submitterlaimo
DownloadsMolfile
FormulaC45H77O16P2
Net Charge-3
Average Mass936.043
Monoisotopic Mass935.47033
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H80O16P2/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)41(49)44(43(45)51)60-62(52,53)54/h11-14,17-20,37,40-45,48-51H,3-10,15-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b13-11-,14-12-,19-17-,20-18-/t37-,40-,41-,42-,43-,44+,45-/m1/s1
InChIKeyLJVKYBOCYGSTNZ-XDXVSMCASA-K
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3−) (CHEBI:77167) is a 1-phosphatidyl-1D-myo-inositol 5-phosphate(3−) (CHEBI:57795)
1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3−) (CHEBI:77167) is conjugate base of 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate (CHEBI:77349)
Incoming Relation(s)
1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate (CHEBI:77349) is conjugate acid of 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3−) (CHEBI:77167)
IUPAC Name 
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate
Synonyms  Source
1,2-di(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate(3−)SUBMITTER
18:2(ω-6)/18:2(ω-6) PtdIns 5P(3−)SUBMITTER
PI5P 18:2(ω-6)/18:2(ω-6)(3−)SUBMITTER
1,2-dilinoleoyl-phosphatidylinositol 5-phosphate(3−)SUBMITTER
UniProt Name  Source
1,2-di(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphateUniProt