Chem
J-GLOBAL ID：201007086715794350   Nikkaji number：J2.777.805D

dTDP-4-oxo-6-deoxy-α-D-allose

チミジン5′-二りん酸β-(4-オキソ-4,6-ジデオキシ-α-D-アロピラノシル)
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： C16H24N2O15P2
Molecular formula furigana： C16-H24-N2-O15-P2
Molecular weight： 546.315
InChI： InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12-,13-,15-/m1/s1
InChI key： PSXWNITXWWECNY-MCPUFDOLSA-N
SMILES： C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)C1=O
Systematic name  (4)：
  • チミジン5′-二りん酸β-(4-オキソ-4,6-ジデオキシ-α-D-ribo-ヘキソピラノシル)
  • チミジン5′-二りん酸β-(4-オキソ-4,6-ジデオキシ-α-D-アロピラノシル)
  • [({[(2R,3R,4S,6R)-3,4-ジヒドロキシ-6-メチル-5-オキソオキサン-2-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ]({[(2R,3S,5R)-3-ヒドロキシ-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-2-イル]メトキシ})ホスフィン酸
  • [({[(2R,3R,4S,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid
Other name (3)：
  • Thymidine 5′-diphosphoric acid β-(4-oxo-4,6-dideoxy-α-D-ribo-hexopyranosyl) ester
  • dTDP-4-oxo-6-deoxy-α-D-allose
  • Thymidine 5′-diphosphoric acid β-(4-oxo-4,6-dideoxy-α-D-allopyranosyl) ester
KEGG COMPOUND： C11926
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