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CHEBI:85835 - CDP-1,2-diarachidonoyl-sn-glycerol

ChEBI IDCHEBI:85835
ChEBI NameCDP-1,2-diarachidonoyl-sn-glycerol
Stars
ASCII NameCDP-1,2-diarachidonoyl-sn-glycerol
DefinitionA CDP-diacylglycerol in which both phosphatidyl acyl groups are specified as arachidonoyl.
Last Modified10 February 2021
SubmitterSteve
DownloadsMolfile
FormulaC52H81N3O15P2
Net Charge0
Average Mass1050.174
Monoisotopic Mass1049.51429
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)/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-N
Roles Classification
Biological Roles:
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-1,2-diarachidonoyl-sn-glycerol (CHEBI:85835) has functional parent arachidonic acid (CHEBI:15843)
CDP-1,2-diarachidonoyl-sn-glycerol (CHEBI:85835) is a CDP-diacylglycerol (CHEBI:17962)
CDP-1,2-diarachidonoyl-sn-glycerol (CHEBI:85835) is conjugate acid of CDP-1,2-diarachidonoyl-sn-glycerol(2−) (CHEBI:85351)
Incoming Relation(s)
CDP-1,2-diarachidonoyl-sn-glycerol(2−) (CHEBI:85351) is conjugate base of CDP-1,2-diarachidonoyl-sn-glycerol (CHEBI:85835)
IUPAC Name 
5'-O-[({[(2R)-2,3-bis{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
Synonym  Source
1,2-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphateChEBI