Chem
J-GLOBAL ID：200907056369309124   Nikkaji number：J675.058C

Isovaleryl CoA

イソバレリル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： C26H44N7O17P3S
Molecular formula furigana： C26-H44-N7-O17-P3-S
Molecular weight： 851.650
InChI： InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1
InChI key： UYVZIWWBJMYRCD-ZMHDXICWSA-N
SMILES： CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
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-イソバレリルチオエチル)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-2,2-ジメチル-3-{[2-({2-[(3-メチルブタノイル)スルファニル]エチル}カルバモイル)エチル]カルバモイル}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-2,2-dimethyl-3-{[2-({2-[(3-methylbutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (10)：
  • イソバレリルCoA
  • イソバレリルコエンザイムA
  • Isovaleryl CoA
  • Isovaleryl coenzyme A
  • S-Isovalerylcoenzyme A
Show all
KEGG COMPOUND： C02939
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