Chem
J-GLOBAL ID:200907085686963700   Nikkaji number:J2.731.005B

CoA-glutathione

アデノシン3′-りん酸5′-[二りん酸P2-[2,2-ジメチル-3-ヒドロキシ-3-[[2-[[2-[[(2S)-2-[[(S)-4-アミノ-4-カルボキシブチリル]アミノ]-3-オキソ-3-(カルボキシメチルアミノ)プロピル]ジチオ]エチル]アミノカルボニル]エチル]アミノカルボニル]プロピル]]
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C31H51N10O22P3S2
Molecular formula furigana: C31-H51-N10-O22-P3-S2
Molecular weight: 1072.840
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-WVVJCBKTSA-N
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
Systematic name  (3):
  • アデノシン3′-りん酸5′-[二りん酸P2-[2,2-ジメチル-3-ヒドロキシ-3-[[2-[[2-[[(2S)-2-[[(S)-4-アミノ-4-カルボキシブチリル]アミノ]-3-オキソ-3-(カルボキシメチルアミノ)プロピル]ジチオ]エチル]アミノカルボニル]エチル]アミノカルボニル]プロピル]]
  • (2S)-2-アミノ-4-{[(1S)-2-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-3-(ホスホノオキシ)オキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)メチル]-2-ヒドロキシ-3-メチルブタンアミド}プロパンアミド)エチル]ジスルファニル}-1-[(カルボキシメチル)カルバモイル]エチル]カルバモイル}ブタン酸
  • (2S)-2-amino-4-{[(1S)-2-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Other name (3):
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(2S)-2-[[(S)-4-amino-4-carboxybutyryl]amino]-3-oxo-3-(carboxymethylamino)propyl]dithio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • CoA-glutathione
  • Coenzyme A-glutathione mixed disulfide
CAS registry number: 6477-52-7
KEGG COMPOUND: C00920
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