Chem
J-GLOBAL ID：200907056935861565   Nikkaji number：J2.745.205A

S-(5-Hydroxy-2-furoyl)-CoA

S-(5-ヒドロキシ-2-フロイル)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： C26H38N7O19P3S
Molecular formula furigana： C26-H38-N7-O19-P3-S
Molecular weight： 877.600
InChI： InChI=1S/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h3-4,11-12,14,18-20,24,35-37H,5-10H2,1-2H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20+,24-/m1/s1
InChI key： IDJHMFITFRNMIE-CITAKDKDSA-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)o1
Systematic name  (3)：
  • S-(5-ヒドロキシ-2-フロイル)補酵素A
  • {[(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-(5-ヒドロキシフラン-2-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[(3R)-3-hydroxy-3-[(2-{[2-(5-hydroxyfuran-2-carbonylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (3)：
  • S-(5-Hydroxy-2-furoyl)coenzyme A
  • S-(5-Hydroxy-2-furoyl)-CoA
  • S-(5-ヒドロキシ-2-フロイル)CoA
KEGG COMPOUND： C03724
Thsaurus map：
Thesaurus Map

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