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CHEBI:77358 - CDP-dipalmitoyl-sn-glycerol

ChEBI IDCHEBI:77358
ChEBI NameCDP-dipalmitoyl-sn-glycerol
Stars
ASCII NameCDP-dipalmitoyl-sn-glycerol
DefinitionA CDP-diacylglycerol in which both of the phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl).
Last Modified5 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC44H81N3O15P2
Net Charge0
Average Mass954.086
Monoisotopic Mass953.51429
SMILESCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCC
InChIInChI=1S/C44H81N3O15P2/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/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1
InChIKeyITYHVANGBZMQML-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)
CDP-dipalmitoyl-sn-glycerol (CHEBI:77358) has functional parent hexadecanoic acid (CHEBI:15756)
CDP-dipalmitoyl-sn-glycerol (CHEBI:77358) has role Mycoplasma genitalium metabolite (CHEBI:131604)
CDP-dipalmitoyl-sn-glycerol (CHEBI:77358) is a CDP-diacylglycerol (CHEBI:17962)
CDP-dipalmitoyl-sn-glycerol (CHEBI:77358) is conjugate acid of CDP-dipalmitoyl-sn-glycerol(2−) (CHEBI:77190)
Incoming Relation(s)
CDP-dipalmitoyl-sn-glycerol(2−) (CHEBI:77190) is conjugate base of CDP-dipalmitoyl-sn-glycerol (CHEBI:77358)
IUPAC Name 
5'-O-[({[(2R)-2,3-bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine
Synonyms  Source
1,2-dihexadecanoyl-sn-glycero-3-CDPChEBI
1,2-dipalmitoyl-sn-glycero-3-cytidine 5'-diphosphateChEBI
1,2-dipalmitoyl-sn-glycero-3-CDPChEBI
1,2-dihexadecanoyl-sn-glycero-3-cytidine 5'-diphosphateLIPID MAPS
CDP-dihexadecanoyl-sn-glycerolChEBI
CDP-DG(16:0/16:0)LIPID MAPS
Manual XrefsDatabases
LMGP13010003LIPID MAPS
HMDB0006968HMDB
CPD-12815MetaCyc
Citations