Chem
J-GLOBAL ID：200907018219085229   Nikkaji number：J2.751.253D

Deaminohydroxyblasticidin S

デアミノヒドロキシブラスチシジンS
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： C17H25N7O6
Molecular formula furigana： C17-H25-N7-O6
Molecular weight： 423.430
InChI： InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/t9?,10-,13+,14-/m0/s1
InChI key： REIIQZAQCCFGIJ-LBLJTAPMSA-N
SMILES： CN(CCC(N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)n1ccc(=O)[nH]c1=O)C(=N)N
Systematic name  (3)：
  • 4-[[3-アミノ-5-[(アミノイミノメチル)メチルアミノ]-1-オキソペンチル]アミノ]-1-[3,4-ジヒドロ-2,4-ジオキソピリミジン-1(2H)-イル]-1,2,3,4-テトラデオキシ-β-D-erythro-2-ヘキセノピラヌロン酸
  • (2S,3S,6R)-3-[3-アミノ-5-(N-メチルカルバムイミドアミド)ペンタンアミド]-6-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3,6-ジヒドロ-2H-ピラン-2-カルボン酸
  • (2S,3S,6R)-3-[3-amino-5-(N-methylcarbamimidamido)pentanamido]-6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Other name (3)：
  • 4-[[3-Amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-[3,4-dihydro-2,4-dioxopyrimidine-1(2H)-yl]-1,2,3,4-tetradeoxy-β-D-erythro-2-hexenopyranuronic acid
  • Deaminohydroxyblasticidin S
  • デアミノヒドロキシブラスチシジンS
KEGG COMPOUND： C03860
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