Chemical Compound

Hmgdithio-coa

CAS Registry Number 134785-93-6
Hmgdithio-coa chemical structure
Primary Record

Hmgdithio-coa

In stock
3,201 g
Purity
98.6 %
CAS
134785-93-6

Compound Identifiers & Properties

CAS
134785-93-6
PubChem CID
3083215
SMILES
CC(C)(COP(=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)[C@H](C(=O)NCCC(=O)NCCSSC(=O)CC(C)(CC(=O)O)O)O
Canonical SMILES
CC(O)(CC(=O)O)CC(=O)SSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

Names & Synonyms

  • Hmgdithio-coa
  • RefChem:911363
  • 3-Hydroxy-3-methylglutaryldithio-coa
  • AC1MJ09J
  • orb3022166
  • 3-Hydroxy-3-methylglutaryldithio-coenzyme A
  • DTXSID10928761
  • Coenzyme A, 3-hydroxy-3-methylglutaryldithio-
  • C27H44N7O20P3S2
  • 134785-93-6
  • CID3083215
  • C27-H44-N7-O20-P3-S2
  • S-((4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)thio)coenzyme A
  • 5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acid
  • Coenzyme A, S-((4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)thio)-
  • 3-Hydroxy-3-methylglutaryldithio-CoA; (Acyl-CoA); [M+H]+;
  • Coenzyme a,s-[(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)thio]-(9ci)
  • COENZYME A,S-[(4-CARBOXY-3-HYDROXY-3-METHYL-1-OXOBUTYL)THIO]- (9CI)
  • 5'-O-[({[(3R)-4-{[3-({2-[(4-Carboxy-3-hydroxy-3-methylbutanoyl)disulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
  • 9-{5-O-[{[(4-{[3-({2-[(4-Carboxy-3-hydroxy-3-methylbutanoyl)disulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine