CHEBI:72860 - 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate(2−)

ChEBI IDCHEBI:72860
ChEBI Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate(2−)
Stars
ASCII Name1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate(2-)
DefinitionA 1,2-diacyl-sn-glycerol 3-phosphate(2−) 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 Modified22 April 2013
Submitterabridge
DownloadsMolfile
FormulaC37H67O8P
Net Charge-2
Average Mass670.909
Monoisotopic Mass670.45845
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])[O-]
InChIInChI=1S/C37H69O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35H,3-10,12,14-16,19-34H2,1-2H3,(H2,40,41,42)/p-2/b13-11-,18-17-/t35-/m1/s1
InChIKeyYQMUIZXKIKXZHD-UMKNCJEQSA-L
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-phosphate(2−) (CHEBI:72860) is a 1,2-diacyl-sn-glycerol 3-phosphate(2−) (CHEBI:58608)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate(2−) (CHEBI:72860) is conjugate base of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate (CHEBI:73259)
Incoming Relation(s)
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate (CHEBI:73259) is conjugate acid of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate(2−) (CHEBI:72860)
IUPAC Name 
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(hexadecanoyloxy)propyl phosphate
Synonyms  Source
PA(16:0/18:2(9Z,12Z))SUBMITTER
1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphate(2−)SUBMITTER
2-linoleoyl-1-palmitoyl-sn-glycero-3-phosphate(2−)ChEBI
1-16:0-2-18:2-phosphatidateMetaCyc
UniProt Name  Source
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphateUniProt
Manual XrefsDatabases
CPD-8265MetaCyc