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CHEBI:77096 - 1-palmitoyl-2-arachidonoyl-sn-glycerol

ChEBI IDCHEBI:77096
ChEBI Name1-palmitoyl-2-arachidonoyl-sn-glycerol
Stars
ASCII Name1-palmitoyl-2-arachidonoyl-sn-glycerol
DefinitionA 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as palmitoyl and arachidonoyl respectively.
Last Modified9 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC39H68O5
Net Charge0
Average Mass616.968
Monoisotopic Mass616.50668
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(42)44-37(35-40)36-43-38(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,20,22,26,28,37,40H,3-10,12,14-16,19,21,23-25,27,29-36H2,1-2H3/b13-11-,18-17-,22-20-,28-26-/t37-/m0/s1
InChIKeyYJEMDFYSDGNQNM-NDUZERMISA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:77096) has functional parent arachidonic acid (CHEBI:15843)
1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:77096) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:77096) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
IUPAC Name 
(2S)-3-(hexadecanoyloxy)-1-hydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Synonyms  Source
1,2-DG 16:0/20:4(ω-6)SUBMITTER
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z)-icosatetraenoyl-sn-glycerolChEBI
DG(16:0/20:4/0:0)LIPID MAPS
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerolLIPID MAPS
DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)LIPID MAPS
Diacylglycerol(36:4)HMDB
UniProt Name  Source
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerolUniProt
Manual XrefsDatabases
LMGL02010070LIPID MAPS
HMDB0007112HMDB
Registry NumbersSources
Reaxys:8603804Reaxys