Chem
J-GLOBAL ID:200907023437784000
Nikkaji number:J397.338G Benzoyl CoA ベンゾイルCoA
Download MOL file 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 H40 N7 O17 P3 S Molecular formula furigana:
C28-H40-N7-O17-P3-S
Molecular weight:
871.640
InChI:
InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22?,26-/m1/s1
InChI key:
VEVJTUNLALKRNO-VBDPZXIHSA-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)c1ccccc1
Systematic name (4): 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-(ベンゾイルチオ)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]] 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-(ベンゾイルチオ)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-(ベンゾイルスルファニル)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-(benzoylsulfanyl)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 (6): ベンゾイルCoA Benzoyl CoA Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2 -[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(benzoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2 -[2,2-dimethyl-3-hydroxy-3-[2-[2-(benzoylthio)ethylaminocarbonyl]ethylaminocarbonyl]propyl]] ester S-Benzoate coenzyme A
Benzoyl-CoA Show all
CAS registry number:
6756-74-7
Application (1):
enzyme inhibitor
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