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CHEBI:85352 - CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−)

ChEBI IDCHEBI:85352
ChEBI NameCDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−)
Stars
ASCII NameCDP-1-stearoyl-2-linoleoyl-sn-glycerol(2-)
DefinitionA CDP-diacylglycerol(2−) obtained by deprotonation of the diphosphate OH groups of CDP-1-stearoyl-2-linoleoyl-sn-glycerol; major species at pH 7.3.
Last Modified14 June 2018
Submitternhn
DownloadsMolfile
FormulaC48H83N3O15P2
Net Charge-2
Average Mass1004.146
Monoisotopic Mass1003.53104
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)/p-2/b14-12-,20-18-/t40-,41-,45-,46-,47-/m1/s1
InChIKeySNJNNEXFHIDAJU-MIHVACCRSA-L
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−) (CHEBI:85352) has role human metabolite (CHEBI:77746)
CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−) (CHEBI:85352) is a CDP-diacylglycerol(2−) (CHEBI:58332)
CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−) (CHEBI:85352) is conjugate base of CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838)
Incoming Relation(s)
CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) is conjugate acid of CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−) (CHEBI:85352)
IUPAC Name 
5'-O-[({[(2R)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine
UniProt Name  Source
1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-cytidine-5'-diphosphateUniProt
Citations