Chem
J-GLOBAL ID：200907011959400212   Nikkaji number：J2.760.961I

L-erythro-3-Methylmalyl-CoA

L-erythro-3-メチルマリル-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： C26H42N7O20P3S
Molecular formula furigana： C26-H42-N7-O20-P3-S
Molecular weight： 897.630
InChI： InChI=1S/C26H42N7O20P3S/c1-12(16(35)24(39)40)25(41)57-7-6-28-14(34)4-5-29-22(38)19(37)26(2,3)9-50-56(47,48)53-55(45,46)49-8-13-18(52-54(42,43)44)17(36)23(51-13)33-11-32-15-20(27)30-10-31-21(15)33/h10-13,16-19,23,35-37H,4-9H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t12-,13-,16+,17-,18-,19?,23-/m1/s1
InChI key： OTENCPQKSBPYCM-LSPSRJDFSA-N
SMILES： C[C@H]([C@H](O)C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(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  (4)：
  • 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-[[(2R,3S)-3,4-ジヒドロキシ-2-メチル-1,4-ジオキソブチル]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]]
  • 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-[[(2R,3S)-2-メチル-3-ヒドロキシ-3-カルボキシプロピオニル]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]]
  • (2S,3R)-4-{[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}-2-ヒドロキシ-3-メチル-4-オキソブタン酸
  • (2S,3R)-4-{[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}-2-hydroxy-3-methyl-4-oxobutanoic acid
Other name (4)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(2R,3S)-3,4-dihydroxy-2-methyl-1,4-dioxobutyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • L-erythro-3-Methylmalyl-CoA
  • L-erythro-3-メチルマリル-CoA
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(2R,3S)-2-methyl-3-hydroxy-3-carboxypropionyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
KEGG COMPOUND： C06027
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