Chem
J-GLOBAL ID：201007027941919630   Nikkaji number：J2.777.905K

3-Isopropylbut-3-enoyl-CoA

3-イソプロピルブタ-3-エノイル-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： C28H46N7O17P3S
Molecular formula furigana： C28-H46-N7-O17-P3-S
Molecular weight： 877.690
InChI： InChI=1S/C28H46N7O17P3S/c1-15(2)16(3)10-19(37)56-9-8-30-18(36)6-7-31-26(40)23(39)28(4,5)12-49-55(46,47)52-54(44,45)48-11-17-22(51-53(41,42)43)21(38)27(50-17)35-14-34-20-24(29)32-13-33-25(20)35/h13-15,17,21-23,27,38-39H,3,6-12H2,1-2,4-5H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1
InChI key： WVYOQRLDVNRMEW-AXEMQUGESA-N
SMILES： CC(C)C(=C)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-(3-イソプロピル-3-ブテノイルチオ)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]]
  • {[(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(3-ヒドロキシ-2,2-ジメチル-3-{[2-({2-[(4-メチル-3-メチリデンペンタノイル)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(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(4-methyl-3-methylidenepentanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (3)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-isopropyl-3-butenoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • 3-Isopropylbut-3-enoyl-CoA
  • 3-イソプロピルブタ-3-エノイル-CoA
KEGG COMPOUND： C11949
Thsaurus map：
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