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CHEBI:72840 - 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)

ChEBI IDCHEBI:72840
ChEBI Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)
Stars
ASCII Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)
DefinitionA 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively; major species at pH 7.3.
Last Modified19 April 2013
Submitterabridge
DownloadsMolfile
FormulaC40H74O10P
Net Charge-1
Average Mass745.996
Monoisotopic Mass745.50251
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@@H](O)CO
InChIInChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46)/p-1/b13-11-,18-17-/t37-,38+/m0/s1
InChIKeyATBOMIWRCZXYSZ-WLGRLVTESA-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-(1'-sn-glycerol)(1−) (CHEBI:72840) is a 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:64716)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72840) is conjugate base of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73238)
Incoming Relation(s)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73238) is conjugate acid of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1−) (CHEBI:72840)
IUPAC Name 
(2S)-2,3-dihydroxypropyl (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphate
Synonyms  Source
PG(16:0/18:2(9Z,12Z))SUBMITTER
2-linoleoyl-1-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1−)ChEBI
UniProt Name  Source
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)UniProt