Chem
J-GLOBAL ID:200907099049240305   Nikkaji number:J2.774.481H

3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carbonyl-CoA

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-(3,4-ジヒドロ-7-メトキシ-2-メチレン-3-オキソ-2H-1,4-ベンゾオキサジン-5-イルカルボニル)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]]
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: C32H43N8O20P3
Molecular formula furigana: C32-H43-N8-O20-P3
Molecular weight: 952.653
InChI: InChI=1S/C32H43N8O20P3/c1-15-29(45)39-22-17(9-16(54-4)10-19(22)57-15)18(41)5-7-34-21(42)6-8-35-30(46)26(44)32(2,3)12-56-63(52,53)60-62(50,51)55-11-20-25(59-61(47,48)49)24(43)31(58-20)40-14-38-23-27(33)36-13-37-28(23)40/h9-10,13-14,20,24-26,31,43-44H,1,5-8,11-12H2,2-4H3,(H,34,42)(H,35,46)(H,39,45)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t20-,24-,25-,26?,31-/m1/s1
InChI key: NMMMAMUOGZLWRB-CJNVRICGSA-N
SMILES: COc1cc2oc(=C)c(=O)[nH]c2c(c1)C(=O)CCNC(=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-(3,4-ジヒドロ-7-メトキシ-2-メチレン-3-オキソ-2H-1,4-ベンゾオキサジン-5-イルカルボニル)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-3-[(2-{[3-(7-メトキシ-2-メチリデン-3-オキソ-3,4-ジヒドロ-2H-1,4-ベンゾオキサジン-5-イル)-3-オキソプロピル]カルバモイル}エチル)カルバモイル]-2,2-ジメチルプロポキシ})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-3-[(2-{[3-(7-methoxy-2-methylidene-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-5-yl)-3-oxopropyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (2):
  • Adenosine 3′-phosphoric acid 5′-[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3,4-dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzooxazine-5-ylcarbonyl)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester
  • 3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carbonyl-CoA
KEGG COMPOUND: C11448
Thsaurus map:

Return to Previous Page