Chem
J-GLOBAL ID：200907077866381260   Nikkaji number：J2.764.877K

N-Acetyl-N6,O-didemethylpuromycin-5′-phosphate

N-アセチル-N6,O-ジデメチルプロマイシン-5′-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： C22H28N7O9P
Molecular formula furigana： C22-H28-N7-O9-P
Molecular weight： 565.480
InChI： InChI=1S/C22H28N7O9P/c1-11(30)27-14(7-12-3-5-13(31)6-4-12)21(33)28-16-15(8-37-39(34,35)36)38-22(18(16)32)29-10-26-17-19(23-2)24-9-25-20(17)29/h3-6,9-10,14-16,18,22,31-32H,7-8H2,1-2H3,(H,27,30)(H,28,33)(H,23,24,25)(H2,34,35,36)/t14-,15+,16+,18+,22+/m0/s1
InChI key： SBVCMDTYCKPOOK-NVWDDTSBSA-N
SMILES： CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C)[C@H]1O
Systematic name  (3)：
  • N-メチル-3′-(N-アセチル-L-チロシルアミノ)-3′-デオキシアデノシン5′-りん酸
  • {[(2S,3S,4R,5R)-3-[(2S)-2-アセトアミド-3-(4-ヒドロキシフェニル)プロパンアミド]-4-ヒドロキシ-5-[6-(メチルアミノ)-9H-プリン-9-イル]オキソラン-2-イル]メトキシ}ホスホン酸
  • {[(2S,3S,4R,5R)-3-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]-4-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl]methoxy}phosphonic acid
Other name (3)：
  • N-Methyl-3′-(N-acetyl-L-tyrosylamino)-3′-deoxyadenosine 5′-phosphoric acid
  • N-Acetyl-N6,O-didemethylpuromycin-5′-phosphate
  • N-アセチル-N6,O-ジデメチルプロマイシン-5′-りん酸
KEGG COMPOUND： C07029
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