CAO

OXIDIZED COENZYME A

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is present as a standalone ligand in 11 entries

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Chemical Component Summary
Name	OXIDIZED COENZYME A
Identifiers	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-4-[[3-(2-hydroxysulfanylethylamino)-3-oxo-propyl]amino]-2,2-dimethyl-4-oxo-butoxy]phosphoryl] hydrogen phosphate
Formula	C₂₁ H₃₆ N₇ O₁₇ P₃ S
Molecular Weight	783.534
Type	NON-POLYMER
Isomeric SMILES	CC(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)[C@H](C(=O)NCCC(=O)NCCSO)O
InChI	InChI=1S/C21H36N7O17P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-40)8-42-48(38,39)45-47(36,37)41-7-11-15(44-46(33,34)35)14(30)20(43-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,40H,3-8H2,1-2H3,(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	HWMGJMKHOJKGLQ-IBOSZNHHSA-N

Chemical Details
Formal Charge	0
Atom Count	85
Chiral Atom Count	7
Bond Count	87
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB01846
Name	Oxidized coenzyme A
Groups	experimental
Synonyms	Oxidized coenzyme A

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Formyl-coenzyme A transferase	MTKPLDGINVLDFTHVQAGPACTQMMGFLGANVIKIERRGSGDMTRGWLQ...	unknown
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex	MSEIIRVPDIGGDGEVIELLVKTGDLIEVEQGLVVLESAKASMEVPSPKA...	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