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CHEBI:85350 - CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2−)

ChEBI IDCHEBI:85350
ChEBI NameCDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2−)
Stars
ASCII NameCDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2-)
DefinitionA CDP-diacylglycerol(2−) obtained by deprotonation of the diphosphate OH groups of CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol; major species at pH 7.3.
Last Modified23 August 2024
Submitternhn
DownloadsMolfile
FormulaC48H79N3O15P2
Net Charge-2
Average Mass1000.114
Monoisotopic Mass999.49974
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)/p-2/b13-11-,18-17-,22-20-,28-26-/t40-,41-,45-,46-,47-/m1/s1
InChIKeyGMBXECXXNMMIAN-BVUIXUOUSA-L
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85350) has role human metabolite (CHEBI:77746)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85350) is a CDP-diacylglycerol(2−) (CHEBI:58332)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85350) is conjugate base of CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:85830)
Incoming Relation(s)
CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol (CHEBI:85830) is conjugate acid of CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85350)
IUPAC Name 
5'-O-[({[(2R)-3-(hexadecanoyloxy)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propoxy]phosphinato}oxy)phosphinato]cytidine
Synonyms  Source
CDP-1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol(2−)ChEBI
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate(2−)ChEBI
CDP-1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycerol(2−)ChEBI
CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z))ChEBI
UniProt Name  Source
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphateUniProt
Citations