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CHEBI:85838 - CDP-1-stearoyl-2-linoleoyl-sn-glycerol

ChEBI IDCHEBI:85838
ChEBI NameCDP-1-stearoyl-2-linoleoyl-sn-glycerol
Stars
ASCII NameCDP-1-stearoyl-2-linoleoyl-sn-glycerol
DefinitionA CDP-diacylglycerol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and linoleoyl respectively.
Last Modified22 May 2015
SubmitterSteve
DownloadsMolfile
FormulaC48H85N3O15P2
Net Charge0
Average Mass1006.162
Monoisotopic Mass1005.54559
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=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/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h12,14,18,20,35-36,40-41,45-47,54-55H,3-11,13,15-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b14-12-,20-18-/t40-,41-,45-,46-,47-/m1/s1
InChIKeySNJNNEXFHIDAJU-MIHVACCRSA-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-linoleoyl-sn-glycerol (CHEBI:85838) has functional parent linoleic acid (CHEBI:17351)
CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) has functional parent octadecanoic acid (CHEBI:28842)
CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) has role human metabolite (CHEBI:77746)
CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) is a CDP-diacylglycerol (CHEBI:17962)
CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) is conjugate acid of CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−) (CHEBI:85352)
Incoming Relation(s)
CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−) (CHEBI:85352) is conjugate base of CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838)
IUPAC Name 
5'-O-[hydroxy({hydroxy[(2R)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)phosphoryl]cytidine
Synonyms  Source
1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-cytidine-5'-diphosphateChEBI
CDP-DG(18:0/18:2)HMDB
1-Octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-CDPHMDB
CDP-Diacylglycerol(18:0/18:2w6)HMDB
CDP-DG(18:0/18:2n6)HMDB
CDP-Diacylglycerol(36:2)HMDB
Manual XrefsDatabases
HMDB0006981HMDB