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CHEBI:104362 - 1,2-dioctadec-11-enoyl-sn-glycero-3-cytidine 5'-diphosphate

ChEBI IDCHEBI:104362
ChEBI Name1,2-dioctadec-11-enoyl-sn-glycero-3-cytidine 5'-diphosphate
Stars
ASCII Name1,2-dioctadec-11-enoyl-sn-glycero-3-cytidine 5'-diphosphate
DefinitionA CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as octadec-11-enoyl.
Last Modified5 April 2016
DownloadsMolfile
FormulaC48H85N3O15P2
Net Charge0
Average Mass1006.162
Monoisotopic Mass1005.54559
SMILESCCCCCCC=CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCC=CCCCCCC
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/h13-16,35-36,40-41,45-47,54-55H,3-12,17-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/t40-,41-,45-,46-,47-/m1/s1
InChIKeyKISJWPWNABZPGN-IGIWICMZSA-N
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Biological Roles:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
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)
1,2-dioctadec-11-enoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:104362) has role Mycoplasma genitalium metabolite (CHEBI:131604)
1,2-dioctadec-11-enoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:104362) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
5'-O-[{[{(2R)-2,3-bis[(octadec-11-enoyl)oxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
Synonyms  Source
CDP-1,2-dioctadec-11-enoyl-sn-glycerolChEBI
CDP-1,2-dioctadec-11-enoylglycerolChEBI
CDP-DG(18:1/18:1)ChEBI
Citations