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CHEBI:77165 - 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)

ChEBI IDCHEBI:77165
ChEBI Name1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)
Stars
ASCII Name1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1-)
DefinitionA phosphatidylinositol 36:4(1−) obtained by deprotonation of the phosphate OH group of 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol; major species at pH 7.3.
Last Modified12 June 2014
Submitterlaimo
DownloadsMolfile
FormulaC45H78O13P
Net Charge-1
Average Mass858.080
Monoisotopic Mass857.51855
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H79O13P/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/h11-14,17-20,37,40-45,48-52H,3-10,15-16,21-36H2,1-2H3,(H,53,54)/p-1/b13-11-,14-12-,19-17-,20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
InChIKeyJTPRPYYVVJBCFF-KCTNQGFXSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77165) is a phosphatidylinositol 36:4(1−) (CHEBI:75194)
1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77165) is conjugate base of 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77348)
Incoming Relation(s)
1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:77348) is conjugate acid of 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:77165)
IUPAC Name 
(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
1,2-di(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositol(1−)SUBMITTER
18:2(ω-6)/18:2(ω-6) PtdIns(1−)SUBMITTER
PI 18:2(ω-6)/18:2(ω-6)(1−)SUBMITTER
1,2-dilinoleoyl-phosphatidylinositol(1−)SUBMITTER
UniProt Name  Source
1,2-di-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phospho-1D-myo-inositolUniProt
Manual XrefsDatabases
CPD-8328MetaCyc