Chem
J-GLOBAL ID：200907075435319076   Nikkaji number：J2.735.654K

3-Oxoadipyl-CoA

β-ケトアジピル-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： C27H42N7O20P3S
Molecular formula furigana： C27-H42-N7-O20-P3-S
Molecular weight： 909.640
InChI： InChI=1S/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/t15-,20-,21-,22?,26-/m1/s1
InChI key： VKKKAAPGXHWXOO-RHRWFGCPSA-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)CC(=O)CCC(=O)O
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-(6-ヒドロキシ-1,3,6-トリオキソヘキシルチオ)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]]
  • 6-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-3-(ホスホノオキシ)オキソラン-2-イル]メトキシ}(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]-2-ヒドロキシ-3-メチルブタンアミド}プロパンアミド)エチル]スルファニル}-4,6-ジオキソヘキサン酸
  • 6-{[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-4,6-dioxohexanoic acid
Other name (5)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(6-hydroxy-1,3,6-trioxohexylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • 3-Oxoadipyl-CoA
  • beta-Ketoadipyl-CoA
  • 3-オキソアジピル-CoA
  • β-ケトアジピル-CoA
KEGG COMPOUND： C02232
Thsaurus map：
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