Chem
J-GLOBAL ID：201007003945132116   Nikkaji number：J2.777.864J

4-Isopropenyl-2-ketocyclohexane-1-carbonyl-CoA

4-イソプロペニル-2-ケトシクロヘキサン-1-カルボニル-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： C31H48N7O18P3S
Molecular formula furigana： C31-H48-N7-O18-P3-S
Molecular weight： 931.740
InChI： InChI=1S/C31H48N7O18P3S/c1-16(2)17-5-6-18(19(39)11-17)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(3,4)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-15,17-18,20,23-25,29,41-42H,1,5-13H2,2-4H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t17?,18?,20-,23-,24-,25?,29-/m1/s1
InChI key： RTPWRCREAVUAOI-CGJPUGKVSA-N
SMILES： CC(=C)C1CCC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(=O)(O)O)n2cnc3c(N)ncnc23)C(=O)C1
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-(4-イソプロペニル-2-オキソ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-2,2-ジメチル-3-{[2-({2-[2-オキソ-4-(プロパ-1-エン-2-イル)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}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-2,2-dimethyl-3-{[2-({2-[2-oxo-4-(prop-1-en-2-yl)cyclohexanecarbonylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)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-(4-isopropenyl-2-oxocyclohexylcarbonylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • 4-Isopropenyl-2-ketocyclohexane-1-carbonyl-CoA
  • 4-イソプロペニル-2-ケトシクロヘキサン-1-カルボニル-CoA
KEGG COMPOUND： C11935
Thsaurus map：
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