Chem
J-GLOBAL ID：200907045828881853   Nikkaji number：J227.896K

Acetyl adenylate

アデニル酸アセチル
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： C12H16N5O8P
Molecular formula furigana： C12-H16-N5-O8-P
Molecular weight： 389.261
InChI： InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChI key： UBPVOHPZRZIJHM-WOUKDFQISA-N
SMILES： CC(=O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Systematic name  (5)：
  • 5′-アデニル酸酢酸無水物
  • 酢酸(アデノシン5′-りん酸)無水物
  • 5′-アデニル酸アセチル
  • (アセチルオキシ)({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ})ホスフィン酸
  • (acetyloxy)({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
Other name (5)：
  • アデニル酸アセチル
  • Acetyl adenylate
  • 5′-Adenylic acid acetic anhydride
  • Acetic acid (adenosine 5′-phosphoric acid)anhydride
  • 5′-Adenylic acid acetyl ester
CAS registry number： 13015-87-7
KEGG COMPOUND： C05993
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