Chem
J-GLOBAL ID:200907075315868203   Nikkaji number:J2.745.371F

(2,3-Dihydroxybenzoyl)adenylate

5′-アデニル酸2,3-ジヒドロキシベンゾイル
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: C17H18N5O10P
Molecular formula furigana: C17-H18-N5-O10-P
Molecular weight: 483.330
InChI: InChI=1S/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)/t9-,12-,13-,16-/m1/s1
InChI key: ULPVJDOMCRTJSN-RVXWVPLUSA-N
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O
Systematic name  (3):
  • 5′-アデニル酸2,3-ジヒドロキシベンゾイル
  • {[(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}(2,3-ジヒドロキシベンゾイルオキシ)ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(2,3-dihydroxybenzoyloxy)phosphinic acid
Other name (2):
  • 5′-Adenylic acid 2,3-dihydroxybenzoyl ester
  • (2,3-Dihydroxybenzoyl)adenylate
KEGG COMPOUND: C04030
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