Chem
J-GLOBAL ID:200907074983472196   Nikkaji number:J2.761.598H

2,5-Diamino-6-(5′-triphosphoryl-3′,4′-trihydroxy-2′-oxopentyl)-amino-4-oxopyrimidine

5-[(2,5-ジアミノ-3,4-ジヒドロ-4-オキソピリミジン-6-イル)アミノ]-4-オキソ-1,2,3-ペンタントリオール1-三りん酸
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: C9H18N5O14P3
Molecular formula furigana: C9-H18-N5-O14-P3
Molecular weight: 513.184
InChI: InChI=1S/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18)
InChI key: ZJYBJXKSWQPKFW-UHFFFAOYSA-N
SMILES: Nc1nc(NCC(=O)C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)c(N)c(=O)[nH]1
Systematic name  (3):
  • 5-[(2,5-ジアミノ-3,4-ジヒドロ-4-オキソピリミジン-6-イル)アミノ]-4-オキソ-1,2,3-ペンタントリオール1-三りん酸
  • [({[({5-[(2,5-ジアミノ-6-オキソ-1,6-ジヒドロピリミジン-4-イル)アミノ]-2,3-ジヒドロキシ-4-オキソペンチル}オキシ)(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]ホスホン酸
  • [({[({5-[(2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-2,3-dihydroxy-4-oxopentyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Other name (2):
  • 5-[(2,5-Diamino-3,4-dihydro-4-oxopyrimidine-6-yl)amino]-4-oxo-1,2,3-pentanetriol 1-triphosphoric acid
  • 2,5-Diamino-6-(5′-triphosphoryl-3′,4′-trihydroxy-2′-oxopentyl)-amino-4-oxopyrimidine
KEGG COMPOUND: C06148
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