CHEBI:85349 - CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2−)

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ChEBI Name CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2−)
ChEBI ID CHEBI:85349
ChEBI ASCII Name CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2-)
Definition A CDP-diacylglycerol(2−) obtained by deprotonation of the diphosphate OH groups of CDP-1-stearoyl-2-arachidonoyl-sn-glycerol; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C50H83N3O15P2
Net Charge -2
Average Mass 1028.15370
Monoisotopic Mass 1027.53104
InChI InChI=1S/C50H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17,19,22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,14-16,18,20-21,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/p-2/b13-11-,19-17-,24-22-,30-28-/t42-,43-,47-,48-,49-/m1/s1
InChIKey MXWMCLVKMTUATQ-UMHKXKCNSA-L
SMILES CCCCCCCCCCCCCCCCCC(=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
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via CDP-diacylglycerol(2-) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85349) has role human metabolite (CHEBI:77746)
CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85349) is a CDP-diacylglycerol(2−) (CHEBI:58332)
CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85349) is conjugate base of CDP-1-stearoyl-2-arachidonoyl-sn-glycerol (CHEBI:85829)
Incoming CDP-1-stearoyl-2-arachidonoyl-sn-glycerol (CHEBI:85829) is conjugate acid of CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85349)
IUPAC Name
5'-O-[({[(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine
Synonyms Sources
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5ʼ-diphosphate UniProt
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-cytidine-5ʼ-diphosphate(2−) ChEBI
CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol(2−) ChEBI
CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycerol(2−) ChEBI
Citation Waiting for Citations Type Source
25375833 PubMed citation SUBMITTER
Last Modified
14 June 2018