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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CDP-1,2-diarachidonoyl-sn-glycerol
ChEBI ID CHEBI:85835
ChEBI ASCII Name CDP-1,2-diarachidonoyl-sn-glycerol
Definition A CDP-diacylglycerol in which both phosphatidyl acyl groups are specified as arachidonoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C52H81N3O15P2
Net Charge 0
Average Mass 1050.15820
Monoisotopic Mass 1049.51429
InChI InChI=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
InChIKey LTDVFLAQFCZSPM-VWUSBWSOSA-N
SMILES CCCCC\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]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via CDP-diacylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via CDP-diacylglycerol )
(via arachidonic acid )
EC 3.1.1.1 (carboxylesterase) inhibitor
Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 ).
(via arachidonic acid )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via arachidonic acid )
(via icosatetraenoic acid )
Daphnia galeata metabolite
A Daphnia metabolite produced by the species Daphnia galeata.
(via arachidonic acid )
Caenorhabditis elegans metabolite
A nematode metabolite produced by Caenorhabditis elegans.
(via icosatetraenoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing CDP-1,2-diarachidonoyl-sn-glycerol (CHEBI:85835) is a 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 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-5ʼ-diphosphate ChEBI
Last Modified
22 May 2015