Cas no 6477-52-7 (Glutathione-CoA disulfide)

Glutathione-CoA disulfide structure
Glutathione-CoA disulfide structure
Product Name:Glutathione-CoA disulfide
CAS No:6477-52-7
MF:C31H51N10O22P3S2
MW:1072.8417
CID:513056
PubChem ID:11953788
Update Time:2025-04-28

Glutathione-CoA disulfide Chemical and Physical Properties

Names and Identifiers

    • Glycine, L-g-glutamyl-3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]dithio]-L-alanyl-,5'-ester with adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate)
    • (19R,25S)-19,25-diamino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-21-(carboxymethyl)-3,5-dihydroxy-7-(2-hydroxy-1,1-dimethylethyl)-8,12,20,22-tetraoxo-2,4,6-trioxa-16,17-dithia-9,13,21-triaza-3,5-diphosphahexacosan-26-oic acid 3,5-dioxide (non-preferred name)
    • coenzyme A-glutathione mixed disulfide
    • Glutathione-CoA disulfide
    • Glutamine, N-[1- [(carboxymethyl)carbamoyl]-2-[[2-[3-(2,4-dihydroxy-3,3-dimethylbutyramido)propionamido]ethyl]dithio]ethyl]-, 5'-ester with adenosine 3'-phosphate 5'- pyrophosphate
    • Coenzyme A-glutathione mixed disulfide
    • Coenzyme A-S,S-glutathione
    • Glycine, N-[3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]dithio]-N-L-γ-glutamyl-L-alanyl]-, 5'-ester with adenosine 5'- (trihydrogen diphosphate) 3'-(dihydrogen phosphate)
    • Glutamine, N-[1-[(carboxymethyl)carbamoyl]-2-[[2-[3-(2,4-dihydroxy-3,3- dimethylbutyramido)propionamido]ethyl]dithio]ethyl]-, 5'-monoester with adenosine 3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), L- (8CI)
    • Coenzyme A glutathione disulfide (7CI)
    • Glycine, L-γ-glutamyl-3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]dithio]-L-alanyl-, 5'-ester with adenosine 5'-
    • C00920
    • C31-H51-N10-O22-P3-S2
    • L-gammaGlu-beta-[[2-[[3-[[4-[[[(3'-O-Phosphono-5'-adenylyl)oxy]phosphonyl]oxy]-2-hydroxy-3,3-dimethylbutyryl]amino]propanoyl]amino]ethyl]dithio]-L-Ala-Gly-OH
    • C31H51N10O22P3S2
    • (2S)-2-amino-5-[[(2R)-3-[2-[3-[[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]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
    • 6477-52-7
    • Coassg
    • Glutamine, N-[1-[(carboxymethyl)carbamoyl]-2-[[2-[3-(2,4-dihydroxy-3,3-dimethylbutyramido)propionamido]ethyl]dithio]ethyl]-, 5'-monoester with adenosine 3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), L- (8CI)
    • Glycine, N-[3-[[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl]dithio]-N-L-γ-glutamyl-L-alanyl]-, 5'-ester with adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate)
    • Coenzyme A-S,S-glutathione
    • Glutamine, N-[1-[(carboxymethyl)carbamoyl]-2-[[2-[3-(2,4-dihydroxy-3,3-dimethylbutyramido)propionamido]ethyl]dithio]ethyl]-, 5'-ester with adenosine 3'-phosphate 5'-pyrophosphate
    • Glutathione-CoA disulfide
    • Inchi: InChI=1S/C31H51N10O22P3S2/c1-31(2,24(47)28(49)35-6-5-18(42)34-7-8-67-68-11-16(27(48)36-9-20(44)45)40-19(43)4-3-15(32)30(50)51)12-60-66(57,58)63-65(55,56)59-10-17-23(62-64(52,53)54)22(46)29(61-17)41-14-39-21-25(33)37-13-38-26(21)41/h13-17,22-24,29,46-47H,3-12,32H2,1-2H3,(H,34,42)(H,35,49)(H,36,48)(H,40,43)(H,44,45)(H,50,51)(H,55,56)(H,57,58)(H2,33,37,38)(H2,52,53,54)/t15-,16-,17+,22+,23+,24?,29+/m0/s1
    • InChI Key: JYKWMJBUIXNJOG-JHKACSFWSA-N
    • SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

Computed Properties

  • Exact Mass: 1072.183
  • Monoisotopic Mass: 1072.183
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 14
  • Hydrogen Bond Acceptor Count: 29
  • Heavy Atom Count: 68
  • Rotatable Bond Count: 30
  • Complexity: 1910
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 556A^2
  • XLogP3: -10.4

Experimental Properties

  • Density: 1.92
  • Refractive Index: 1.736
  • PSA: 585.41000
  • LogP: -0.49090

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