6477-52-7 (Glutathione-CoA disulfide,Glutathione-CoA disulfide)

CAS号:
6477-52-7
中文名称:
Glutathione-CoA disulfide
英文名称:
Glutathione-CoA disulfide
分子式:
C31H51N10O22P3S2
分子量:
1072.8417

Glutathione-CoA disulfide(6477-52-7)名称与标识符

名称

英文别名:
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;

标识符

InChIKey:
JYKWMJBUIXNJOG-JHKACSFWSA-N
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
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

Glutathione-CoA disulfide(6477-52-7)物化性质

实验特性

  • LogP : -0.49090
  • PSA : 585.41000
  • 折射率 : 1.736
  • 密度 : 1.92

计算特性

  • 精确分子量 : 1072.183
  • 氢键供体数量 : 14
  • 氢键受体数量 : 29
  • 可旋转化学键数量 : 30
  • 同位素质量 : 1072.183
  • 重原子数量 : 68
  • 复杂度 : 1910
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -10.4
  • 拓扑分子极性表面积 : 556A^2

Glutathione-CoA disulfide(6477-52-7)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
询单

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