Chem
J-GLOBAL ID：200907075381946797   Nikkaji number：J704.621I

p-Hydroxybenzoyl CoA

p-ヒドロキシベンゾイル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： C28H40N7O18P3S
Molecular formula furigana： C28-H40-N7-O18-P3-S
Molecular weight： 887.640
InChI： InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1
InChI key： LTVXPVBFJBTNIJ-TYHXJLICSA-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@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1
Systematic name  (3)：
  • アデノシン3′-りん酸5′-[二りん酸β-[(R)-3-ヒドロキシ-2,2-ジメチル-4-[[3-[[2-(4-ヒドロキシベンゾイルチオ)エチル]アミノ]-3-オキソプロピル]アミノ]-4-オキソブチル]]
  • {[(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[(3R)-3-ヒドロキシ-3-[(2-{[2-(4-ヒドロキシ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]-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[(3R)-3-hydroxy-3-[(2-{[2-(4-hydroxybenzoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (5)：
  • p-ヒドロキシベンゾイルCoA
  • p-Hydroxybenzoyl CoA
  • S-(4-Hydroxybenzoyl)coenzyme A
  • S-(4-ヒドロキシベンゾイル)補酵素A
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid β-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(4-hydroxybenzoylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
Thsaurus map：
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