Chem
J-GLOBAL ID:200907043949134971
Nikkaji number:J2.771.193F
2,6-Dihydroxycyclohexane-1-carboxyl-CoA
2,6-ジヒドロキシシクロヘキサン-1-カルボキシル-CoA
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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:
C28 H46 N7 O19 P3 S
Molecular formula furigana:
C28-H46-N7-O19-P3-S
Molecular weight:
909.690
InChI:
InChI=1S/C28H46N7O19P3S/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/h12-16,18,20-22,26,36-37,39-40H,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?,15?,16-,18?,20-,21-,22?,26-/m1/s1
InChI key:
IDVOAQDDLQQSLO-MDHZKJTOSA-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)CCCC1O
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-(2,6-ジ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)-2-[({[({3-[(2-{[2-(2,6-ジヒドロキシ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]-3-ヒドロキシ-2,2-ジメチルプロポキシ}(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]-4-ヒドロキシオキソラン-3-イル]オキシ}ホスホン酸
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(2,6-dihydroxycyclohexanecarbonylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Other name (3):
Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2 -[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(2,6-dihydroxycyclohexylcarbonylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
2,6-Dihydroxycyclohexane-1-carboxyl-CoA
2,6-ジヒドロキシシクロヘキサン-1-カルボキシル-CoA
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