Chem
J-GLOBAL ID：200907081852791870   Nikkaji number：J2.760.456K

Phosphoribulosyl-formimino-AICAR-phosphate

ホスホリブロシルホルムイミノ-AICAR-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： C15H25N5O15P2
Molecular formula furigana： C15-H25-N5-O15-P2
Molecular weight： 577.333
InChI： InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8-,10+,11-,12-,15-/m1/s1
InChI key： BLKFNHOCHNCLII-GHVQHMAVSA-N
SMILES： NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N=CNCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O
Systematic name  (3)：
  • 1-(5-O-ホスホノ-β-D-リボフラノシル)-5-[(5-O-ホスホノ-1-デオキシ-D-リブロース-1-イル)アミノメチレンアミノ]-1H-イミダゾール-4-カルボアミド
  • {[(2R,3R)-5-(N'-{4-カルバモイル-1-[(2R,3R,4S,5R)-3,4-ジヒドロキシ-5-[(ホスホノオキシ)メチル]オキソラン-2-イル]-1H-イミダゾール-5-イル}メタンイミドアミド)-2,3-ジヒドロキシ-4-オキソペンチル]オキシ}ホスホン酸
  • {[(2R,3R)-5-(N'-{4-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}methanimidamido)-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid
Other name (5)：
  • 1-(5-O-Phosphono-β-D-ribofuranosyl)-5-[(5-O-phosphono-1-deoxy-D-ribulose-1-yl)aminomethyleneamino]-1H-imidazole-4-carboxamide
  • N-(5′-Phospho-D-1′-ribulosylformimino)-5-amino-1-(5′′-phospho-D-ribosyl)-4-imidazolecarboxamide
  • Phosphoribulosyl-formimino-AICAR-phosphate
  • N-(5′-ホスホ-D-1′-リブロシルホルムイミノ)-5-アミノ-1-(5′′-ホスホ-D-リボシル)-4-イミダゾールカルボキサミド
  • ホスホリブロシルホルムイミノ-AICAR-りん酸
KEGG COMPOUND： C04916
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