COS

COENZYME A PERSULFIDE

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is present as a standalone ligand in 5 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries

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Chemical Component Summary
Name	COENZYME A PERSULFIDE
Identifiers	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [[(3R)-4-[[3-(2-disulfanylethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-hydroxy-phosphoryl] hydrogen phosphate
Formula	C₂₁ H₃₆ N₇ O₁₆ P₃ S₂
Molecular Weight	799.599
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)NCCSS)O
InChI	InChI=1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-48)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/h9-11,14-16,20,30-31,48H,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	REVPHPVBPSIEKM-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	DB04036
Name	Coenzyme A persulfide
Groups	experimental
Description	Coenzyme A persulfide is a possible in vivo inhibitor of mammalian short chain acyl-CoA dehydrogenase.
Synonyms	CoA persulfide Coenzyme A persulfide
Categories	Adenine Nucleotides Coenzymes Enzymes and Coenzymes Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides
CAS number	81918-99-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Isovaleryl-CoA dehydrogenase, mitochondrial	MATATRLLGWRVASWRLRPPLAGFVSQRAHSLLPVDDAINGLSEEQRQLR...	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