Chem
J-GLOBAL ID：201007037607537021   Nikkaji number：J2.777.762G

Thymidine 5′-diphosphoric acid β-(3-methyl-4-oxo-2,4,6-trideoxy-β-L-erythro-hexopyranosyl) ester

チミジン5′-二りん酸β-(3-メチル-4-オキソ-2,4,6-トリデオキシ-β-L-erythro-ヘキソピラノシル)
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： C17H26N2O14P2
Molecular formula furigana： C17-H26-N2-O14-P2
Molecular weight： 544.343
InChI： InChI=1S/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13+,17+/m0/s1
InChI key： JOZTVKXGCLUNKC-DHBRWODKSA-N
SMILES： C[C@@H]1O[C@@H](C[C@@](C)(O)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-メチル-4-オキソ-2,4,6-トリデオキシ-β-L-erythro-ヘキソピラノシル)
  • {[ヒドロキシ({[(2R,4R,6S)-4-ヒドロキシ-4,6-ジメチル-5-オキソオキサン-2-イル]オキシ})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
  • {[hydroxy({[(2R,4R,6S)-4-hydroxy-4,6-dimethyl-5-oxooxan-2-yl]oxy})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 (1)：
  • Thymidine 5′-diphosphoric acid β-(3-methyl-4-oxo-2,4,6-trideoxy-β-L-erythro-hexopyranosyl) ester
KEGG COMPOUND： C11915
Thsaurus map：
Thesaurus Map

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