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CHEBI:72838 - 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1−)

ChEBI IDCHEBI:72838
ChEBI Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1−)
Stars
ASCII Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1-)
DefinitionA 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) obtained by deprotonation of the phosphate OH group of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol.
Last Modified10 October 2016
Submitterabridge
DownloadsMolfile
FormulaC43H78O13P
Net Charge-1
Average Mass834.058
Monoisotopic Mass833.51855
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/p-1/b13-11-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
InChIKeyBSNJSZUDOMPYIR-CUKLWHKZSA-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-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72838) is a 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:64875)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72838) is a phosphatidylinositol 34:2(1−) (CHEBI:74238)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72838) is conjugate base of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73212)
Incoming Relation(s)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol (CHEBI:73212) is conjugate acid of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol(1−) (CHEBI:72838)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonyms  Source
PI(16:0/18:2(9Z,12Z))SUBMITTER
1-hexadecanoyl-2-linoleoyl-sn-glycero-3-phospho-D-myo-inositol(1−)SUBMITTER
1-16:0-2-18:2-phosphatidylinositolMetaCyc
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-myo-inositol)MetaCyc
16:0-18:2-PIMetaCyc
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)ChEBI
UniProt Name  Source
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1D-myo-inositol)UniProt
Manual XrefsDatabases
CPD-8321MetaCyc