Chem
J-GLOBAL ID:200907065828949670   Nikkaji number:J2.741.395A

3-Methylglutaconyl-CoA

3-メチルグルタコニル-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: C27H42N7O19P3S
Molecular formula furigana: C27-H42-N7-O19-P3-S
Molecular weight: 893.640
InChI: InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h8,12-13,15,20-22,26,39-40H,4-7,9-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-8+/t15-,20-,21-,22?,26-/m1/s1
InChI key: ZMMFWDHIXCPOHZ-XSVFPTIUSA-N
SMILES: C/C(=C\C(=O)O)/CC(=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  (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-[[(3E)-5-ヒドロキシ-3-メチル-1,5-ジオキソ-3-ペンテニル]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]]
  • (2E)-5-{[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}-3-メチル-5-オキソペンタ-2-エン酸
  • (2E)-5-{[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}-3-methyl-5-oxopent-2-enoic acid
Other name (5):
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[(3E)-5-hydroxy-3-methyl-1,5-dioxo-3-pentenyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • 3-Methylglutaconyl-CoA
  • trans-3-Methylglutaconyl-CoA
  • 3-メチルグルタコニル-CoA
  • trans-3-メチルグルタコニル-CoA
KEGG COMPOUND: C03231
Thsaurus map:

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