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CHEBI:104012 - 1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate

ChEBI IDCHEBI:104012
ChEBI Name1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate
Stars
ASCII Name1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate
DefinitionA CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as hexadec-9-enoyl.
Last Modified5 April 2016
DownloadsMolfile
FormulaC44H77N3O15P2
Net Charge0
Average Mass950.054
Monoisotopic Mass949.48299
SMILESCCCCCCC=CCCCCCCCC(=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)CCCCCCCC=CCCCCCC
InChIInChI=1S/C44H77N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h13-16,31-32,36-37,41-43,50-51H,3-12,17-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1
InChIKeyLBKBJHVQQNUXGQ-BQUKFSKHSA-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-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:104012) has role Mycoplasma genitalium metabolite (CHEBI:131604)
1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:104012) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
5'-O-[{[{(2R)-2,3-bis[(hexadec-9-enoyl)oxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
Synonyms  Source
CDP-1,2-dihexadec-9-enoyl-sn-glycerolChEBI
CDP-DG(16:1/16:1)ChEBI
CDP-1,2-dihexadec-9-enoylglycerolChEBI
Citations