Chem
J-GLOBAL ID：200907032619734431   Nikkaji number：J2.732.417G

Isohexenyl-glutaconyl-CoA

イソヘキセニル-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： C32H50N7O19P3S
Molecular formula furigana： C32-H50-N7-O19-P3-S
Molecular weight： 961.760
InChI： InChI=1S/C32H50N7O19P3S/c1-18(2)6-5-7-19(12-22(41)42)13-23(43)62-11-10-34-21(40)8-9-35-30(46)27(45)32(3,4)15-55-61(52,53)58-60(50,51)54-14-20-26(57-59(47,48)49)25(44)31(56-20)39-17-38-24-28(33)36-16-37-29(24)39/h6,13,16-17,20,25-27,31,44-45H,5,7-12,14-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t20-,25-,26-,27?,31-/m1/s1
InChI key： BVEJAKPMABGOEE-XSFXCXFESA-N
SMILES： CC(=CCCC(=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)CC(=O)O)C
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-[[3-(カルボキシメチル)-7-メチル-1-オキソ-2,6-オクタジエニル]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]]
  • 3-(2-{[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-オキソエチリデン)-7-メチルオクタ-6-エン酸
  • 3-(2-{[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-oxoethylidene)-7-methyloct-6-enoic acid
Other name (4)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[3-(carboxymethyl)-7-methyl-1-oxo-2,6-octadienyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • 3-(4-Methylpent-3-en-1-yl)pent-2-enedioyl-CoA
  • Isohexenyl-glutaconyl-CoA
  • イソヘキセニル-グルタコニル-CoA
KEGG COMPOUND： C01291
Thsaurus map：
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