Chem
J-GLOBAL ID：200907009072098363   Nikkaji number：J653.994G

Methylene-H4MPT

メチレンH4MPT
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： C31H45N6O16P
Molecular formula furigana： C31-H45-N6-O16-P
Molecular weight： 788.701
InChI： InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17?,18?,19?,20+,22+,24?,25+,26+,30-/m0/s1
InChI key： GBMIGEWJAPFSQI-AXXKGKSUSA-N
SMILES： C[C@@H]1[C@H]2[C@H](C)Nc3nc(N)[nH]c(=O)c3N2CN1c1ccc(CC(O)C(O)C(O)CO[C@H]2O[C@H](COP(=O)(O)OC(CCC(=O)O)C(=O)O)[C@@H](O)[C@H]2O)cc1
Systematic name  (3)：
  • 1-[4-[(1,2,5,6,6aβ,7-ヘキサヒドロ-3-アミノ-6β,7β-ジメチル-1-オキソイミダゾ[1,5-f]プテリジン)-8(9H)-イル]フェニル]-5-[5-O-[(1,3-ジカルボキシプロポキシ)ヒドロキシホスフィニル]-α-D-リボフラノシルオキシ]-2,3,4-ペンタントリオール
  • 2-[({[(2R,3S,4R,5S)-5-[(5-{4-[(6S,6aR,7R)-3-アミノ-6,7-ジメチル-1-オキソ-1H,2H,5H,6H,6aH,7H,8H,9H-イミダゾ[1,5-f]プテリジン-8-イル]フェニル}-2,3,4-トリヒドロキシペンチル)オキシ]-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]ペンタン二酸
  • 2-[({[(2R,3S,4R,5S)-5-[(5-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1H,2H,5H,6H,6aH,7H,8H,9H-imidazo[1,5-f]pteridin-8-yl]phenyl}-2,3,4-trihydroxypentyl)oxy]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]pentanedioic acid
Other name (7)：
  • N5,N10-メチレンテトラヒドロメタノプテリン
  • N5,N10-Methylenetetrahydromethanopterin
  • 1-[4-[(1,2,5,6,6aβ,7-Hexahydro-3-amino-6β,7β-dimethyl-1-oxoimidazo[1,5-f]pteridin)-8(9H)-yl]phenyl]-5-[5-O-[(1,3-dicarboxypropoxy)hydroxyphosphinyl]-α-D-ribofuranosyloxy]-2,3,4-pentanetriol
  • メチレンH4MPT
  • Methylene-H4MPT
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