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CHEBI:85830 - CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol

ChEBI IDCHEBI:85830
ChEBI NameCDP-1-palmitoyl-2-arachidonoyl-sn-glycerol
Stars
ASCII NameCDP-1-palmitoyl-2-arachidonoyl-sn-glycerol
DefinitionA CDP-diacylglycerol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as palmitoyl and arachidonoyl respectively.
Last Modified23 August 2024
SubmitterSteve
DownloadsMolfile
FormulaC48H81N3O15P2
Net Charge0
Average Mass1002.130
Monoisotopic Mass1001.51429
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C48H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-44(53)64-40(37-61-43(52)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h11,13,17-18,20,22,26,28,35-36,40-41,45-47,54-55H,3-10,12,14-16,19,21,23-25,27,29-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b13-11-,18-17-,22-20-,28-26-/t40-,41-,45-,46-,47-/m1/s1
InChIKeyGMBXECXXNMMIAN-BVUIXUOUSA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:85830) has functional parent arachidonic acid (CHEBI:15843)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:85830) has functional parent hexadecanoic acid (CHEBI:15756)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:85830) has role human metabolite (CHEBI:77746)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:85830) is a CDP-diacylglycerol (CHEBI:17962)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:85830) is conjugate acid of CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85350)
Incoming Relation(s)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85350) is conjugate base of CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:85830)
IUPAC Name 
5'-O-[({[(2R)-3-(hexadecanoyloxy)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
Synonyms  Source
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphateChEBI
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphateChEBI
CDP-1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycerolChEBI
CDP-1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerolChEBI
CDP-DG(16:0/20:4n6)HMDB
CDP-DG(36:4)HMDB
Manual XrefsDatabases
HMDB0006973HMDB