Coenzyme A-glutathione mixed disulfide

(2S)-2-amino-5-[[(2R)-2-amino-3-[2-[3-[[2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid

Also Known As: Coassg|Glutathione-coa mixed disulfide|Coenzyme A glutathione disulfide|Coenzyme A-glutathione mixed disulfide|Coassg; (Acyl-CoA); [M+H]+;|Glycine, N-(3-((2-((3-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-1-oxopropyl)amino)ethyl)dithio)-N-L-gamma-glutamyl-L-alanyl)-, 5'-ester with adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate)|(2S)-2-amino-5-[[(2R)-2-amino-3-[2-[3-[[2-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-4-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid

Molecular Formula	C31H51N10O22P3S2
Molecular Weight	1072.1833 g/mol
LogP	-3.2545
Topological Polar Surface Area	510.58 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	24
Rotatable Bonds	29
Exact Mass	1072.1833
Monoisotopic Mass	1072.1833
Heavy Atoms	68
Complexity	2276.0322

Chemical Identifiers

CAS Number	6477-52-7
SMILES	CC(C)(CO)C(C(=O)NCCC(=O)NCCSSC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O