Chem
J-GLOBAL ID：200907014061880942   Nikkaji number：J2.762.505C

Malonamoyl-CoA

マロナモイル-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： C24H39N8O18P3S
Molecular formula furigana： C24-H39-N8-O18-P3-S
Molecular weight： 852.600
InChI： InChI=1S/C24H39N8O18P3S/c1-24(2,19(37)22(38)28-4-3-14(34)27-5-6-54-15(35)7-13(25)33)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)32-11-31-16-20(26)29-10-30-21(16)32/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H2,25,33)(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t12-,17-,18-,19?,23-/m1/s1
InChI key： KRWKKOAUSKOTIG-VFLPNFFSSA-N
SMILES： CC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)N
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-(カルバモイルアセチルチオ)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]]
  • {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-2-{[({[(3-{[2-({2-[(2-カルバモイルアセチル)スルファニル]エチル}カルバモイル)エチル]カルバモイル}-3-ヒドロキシ-2,2-ジメチルプロポキシ)(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}-4-ヒドロキシオキソラン-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2-carbamoylacetyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Other name (3)：
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(carbamoylacetylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • Malonamoyl-CoA
  • マロナモイル-CoA
KEGG COMPOUND： C06625
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