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CHEBI:85829 - CDP-1-stearoyl-2-arachidonoyl-sn-glycerol

ChEBI IDCHEBI:85829
ChEBI NameCDP-1-stearoyl-2-arachidonoyl-sn-glycerol
Stars
ASCII NameCDP-1-stearoyl-2-arachidonoyl-sn-glycerol
DefinitionA CDP-diacylglycerol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively.
Last Modified21 May 2015
SubmitterSteve
DownloadsMolfile
FormulaC50H85N3O15P2
Net Charge0
Average Mass1030.184
Monoisotopic Mass1029.54559
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
InChIInChI=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)/b13-11-,19-17-,24-22-,30-28-/t42-,43-,47-,48-,49-/m1/s1
InChIKeyMXWMCLVKMTUATQ-UMHKXKCNSA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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-stearoyl-2-arachidonoyl-sn-glycerol (CHEBI:85829) has functional parent arachidonic acid (CHEBI:15843)
CDP-1-stearoyl-2-arachidonoyl-sn-glycerol (CHEBI:85829) has functional parent octadecanoic acid (CHEBI:28842)
CDP-1-stearoyl-2-arachidonoyl-sn-glycerol (CHEBI:85829) has role human metabolite (CHEBI:77746)
CDP-1-stearoyl-2-arachidonoyl-sn-glycerol (CHEBI:85829) is a CDP-diacylglycerol (CHEBI:17962)
CDP-1-stearoyl-2-arachidonoyl-sn-glycerol (CHEBI:85829) is conjugate acid of CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85349)
Incoming Relation(s)
CDP-1-stearoyl-2-arachidonoyl-sn-glycerol(2−) (CHEBI:85349) is conjugate base of CDP-1-stearoyl-2-arachidonoyl-sn-glycerol (CHEBI:85829)
IUPAC Name 
5'-O-[hydroxy({hydroxy[(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)phosphoryl]cytidine
Synonyms  Source
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphateChEBI
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphateChEBI
CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerolChEBI
CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycerolChEBI
CDP-DG(18:0/20:4w6)HMDB
CDP-DG(38:4)HMDB
Manual XrefsDatabases
HMDB0006982HMDB