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CHEBI:77190 - CDP-dipalmitoyl-sn-glycerol(2−)

ChEBI IDCHEBI:77190
ChEBI NameCDP-dipalmitoyl-sn-glycerol(2−)
Stars
ASCII NameCDP-dipalmitoyl-sn-glycerol(2-)
DefinitionA CDP-diacylglycerol(2−) obtained by deprotonation of the diphosphate OH groups of CDP-dipalmitoyl-sn-glycerol; major species at pH 7.3.
Last Modified18 February 2014
Submitterlaimo
DownloadsMolfile
FormulaC44H79N3O15P2
Net Charge-2
Average Mass952.070
Monoisotopic Mass951.49974
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)/p-2/t36-,37-,41-,42-,43-/m1/s1
InChIKeyITYHVANGBZMQML-BQUKFSKHSA-L
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
CDP-dipalmitoyl-sn-glycerol(2−) (CHEBI:77190) is a CDP-diacylglycerol(2−) (CHEBI:58332)
CDP-dipalmitoyl-sn-glycerol(2−) (CHEBI:77190) is conjugate base of CDP-dipalmitoyl-sn-glycerol (CHEBI:77358)
Incoming Relation(s)
CDP-dipalmitoyl-sn-glycerol (CHEBI:77358) is conjugate acid of CDP-dipalmitoyl-sn-glycerol(2−) (CHEBI:77190)
IUPAC Name 
5'-O-[({[(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]cytidine
Synonyms  Source
1,2-dihexadecanoyl-sn-glycero-3-CDP(2−)SUBMITTER
cytidine diphosphodipalmitoyl glyceride(2−)SUBMITTER
1,2-dihexadecanoyl-sn-glycero-3-cytidine 5'-diphosphate(2−)ChEBI
1,2-dipalmitoyl-sn-glycero-3-cytidine 5'-diphosphate(2−)ChEBI
UniProt Name  Source
1,2-dihexadecanoyl-sn-glycero-3-CDPUniProt