Chem
J-GLOBAL ID：200907095264437602   Nikkaji number：J1.006.049D

N-Methylanthraniloyl-CoA

N-メチルアントラニロイル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： C29H43N8O17P3S
Molecular formula furigana： C29-H43-N8-O17-P3-S
Molecular weight： 900.680
InChI： InChI=1S/C29H43N8O17P3S/c1-29(2,23(40)26(41)33-9-8-19(38)32-10-11-58-28(42)16-6-4-5-7-17(16)31-3)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(30)34-14-35-25(20)37/h4-7,14-15,18,21-23,27,31,39-40H,8-13H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,30,34,35)(H2,43,44,45)/t18-,21-,22-,23+,27-/m1/s1
InChI key： DYCZFHXLKCLDQL-SXQYHYLKSA-N
SMILES： CNc1ccccc1C(=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  (5)：
  • 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-[[2-(メチルアミノ)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]]
  • S-[2-(メチルアミノ)ベンゾイル]補酵素A
  • S-[2-(メチルアミノ)ベンゾイル]コエンザイム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-2,2-ジメチル-3-{[2-({2-[2-(メチルアミノ)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}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-[2-(methylamino)benzoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (4)：
  • S-[2-(Methylamino)benzoyl]coenzyme A
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid β-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-[[2-(methylamino)benzoyl]thio]ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester
  • N-メチルアントラニロイルCoA
  • N-Methylanthraniloyl-CoA
KEGG COMPOUND： C12092
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