DCA

DESULFO-COENZYME A

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is present as a standalone ligand in 8 entries

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Chemical Component Summary
Name	DESULFO-COENZYME A
Identifiers	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [[(3R)-4-[(3-ethylamino-3-oxo-propyl)amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] hydrogen phosphate
Formula	C₂₁ H₃₆ N₇ O₁₆ P₃
Molecular Weight	735.469
Type	NON-POLYMER
Isomeric SMILES	CCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
InChI	InChI=1S/C21H36N7O16P3/c1-4-23-12(29)5-6-24-19(32)16(31)21(2,3)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
InChIKey	ILWZMFJBPIYQKW-IBOSZNHHSA-N

Chemical Details
Formal Charge	0
Atom Count	83
Chiral Atom Count	7
Bond Count	85
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB01829
Name	Desulfo-coenzyme A
Groups	experimental
Synonyms	Coenzyme A, desulfo Desulfo-coa Desulfo-coenzyme A
Categories	Adenine Nucleotides Coenzymes Enzymes and Coenzymes Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides
CAS number	5863-40-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Chloramphenicol acetyltransferase	MGNYFESPFRGKLLSEQVSNPNIRVGRYSYYSGYYHGHSFDDCARYLMPD...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682