Chem
J-GLOBAL ID：201007035085385193   Nikkaji number：J2.781.730K

dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose

チミジン5′-二りん酸β-(3-アミノ-2,3,6-トリデオキシ-3-C-メチル-α-D-erythro-4-ヘキソスロピラノシル)
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： C17H27N3O13P2
Molecular formula furigana： C17-H27-N3-O13-P2
Molecular weight： 543.359
InChI： InChI=1S/C17H27N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-13,21H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10+,11-,12-,13-,17+/m1/s1
InChI key： LXNLHPYBLNFMEH-XXXNSVIPSA-N
SMILES： C[C@H]1O[C@@H](C[C@](C)(N)C1=O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Systematic name  (3)：
  • チミジン5′-二りん酸β-(3-アミノ-2,3,6-トリデオキシ-3-C-メチル-α-D-erythro-4-ヘキソスロピラノシル)
  • [({[(2R,4S,6R)-4-アミノ-4,6-ジメチル-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,4S,6R)-4-amino-4,6-dimethyl-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 (2)：
  • Thymidine 5′-diphosphoric acid β-(3-amino-2,3,6-trideoxy-3-C-methyl-α-D-erythro-4-hexosulopyranosyl) ester
  • dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose
KEGG COMPOUND： C12319
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