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CHEBI:85351 - CDP-1,2-diarachidonoyl-sn-glycerol(2−)

ChEBI IDCHEBI:85351
ChEBI NameCDP-1,2-diarachidonoyl-sn-glycerol(2−)
Stars
ASCII NameCDP-1,2-diarachidonoyl-sn-glycerol(2-)
DefinitionA CDP-diacylglycerol(2−) obtained by deprotonation of the diphosphate OH groups of CDP-1,2-diarachidonoyl-sn-glycerol; major species at pH 7.3.
Last Modified14 June 2018
Submitternhn
DownloadsMolfile
FormulaC52H79N3O15P2
Net Charge-2
Average Mass1048.158
Monoisotopic Mass1047.49974
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C52H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-47(56)65-41-44(68-48(57)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h11-14,17-20,23-26,29-32,39-40,44-45,49-51,58-59H,3-10,15-16,21-22,27-28,33-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/p-2/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t44-,45-,49-,50-,51-/m1/s1
InChIKeyLTDVFLAQFCZSPM-VWUSBWSOSA-L
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
CDP-1,2-diarachidonoyl-sn-glycerol(2−) (CHEBI:85351) is a CDP-diacylglycerol(2−) (CHEBI:58332)
CDP-1,2-diarachidonoyl-sn-glycerol(2−) (CHEBI:85351) is conjugate base of CDP-1,2-diarachidonoyl-sn-glycerol (CHEBI:85835)
Incoming Relation(s)
CDP-1,2-diarachidonoyl-sn-glycerol (CHEBI:85835) is conjugate acid of CDP-1,2-diarachidonoyl-sn-glycerol(2−) (CHEBI:85351)
IUPAC Name 
5'-O-[({[(2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propoxy]phosphinato}oxy)phosphinato]cytidine
UniProt Name  Source
1,2-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphateUniProt
Citations