Chem
J-GLOBAL ID：200907033563065384   Nikkaji number：J2.771.194D

6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA

6-オキソ-2-ヒドロキシシクロヘキサン-1-カルボキシル-CoA
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： C28H44N7O19P3S
Molecular formula furigana： C28-H44-N7-O19-P3-S
Molecular weight： 907.670
InChI： InChI=1S/C28H44N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(38)30-8-9-58-27(42)18-14(36)4-3-5-15(18)37)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-19-23(29)32-12-33-24(19)35/h12-14,16,18,20-22,26,36,39-40H,3-11H2,1-2H3,(H,30,38)(H,31,41)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t14?,16-,18?,20-,21-,22?,26-/m1/s1
InChI key： XUJOIUADEGVEIA-ACODKJRQSA-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)NCCSC(=O)C1C(O)CCCC1=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-(6-オキソ-2-ヒドロキシシクロヘキシルカルボニルチオ)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]]
  • {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-2-({[ヒドロキシ({[ヒドロキシ({3-ヒドロキシ-3-[(2-{[2-(2-ヒドロキシ-6-オキソシクロヘキサンカルボニルスルファニル)エチル]カルバモイル}エチル)カルバモイル]-2,2-ジメチルプロポキシ})ホスホリル]オキシ})ホスホリル]オキシ}メチル)オキソラン-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-3-[(2-{[2-(2-hydroxy-6-oxocyclohexanecarbonylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (3)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(6-oxo-2-hydroxycyclohexylcarbonylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA
  • 6-オキソ-2-ヒドロキシシクロヘキサン-1-カルボキシル-CoA
KEGG COMPOUND： C09825
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