Chem
J-GLOBAL ID：200907096370255528   Nikkaji number：J2.751.521E

5-Methyl-H4MPT

5-メチルテトラヒドロメタノプテリン
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： C31H47N6O16P
Molecular formula furigana： C31-H47-N6-O16-P
Molecular weight： 790.717
InChI： InChI=1S/C31H47N6O16P/c1-13(22-14(2)34-27-23(37(22)3)28(45)36-31(32)35-27)33-16-6-4-15(5-7-16)10-17(38)24(42)18(39)11-50-30-26(44)25(43)20(52-30)12-51-54(48,49)53-19(29(46)47)8-9-21(40)41/h4-7,13-14,17-20,22,24-26,30,33,38-39,42-44H,8-12H2,1-3H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,34,35,36,45)/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1
InChI key： SWBKYDXMQNCIAW-ZQPYBXQSSA-N
SMILES： C[C@@H](Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]2O)cc1)[C@H]1[C@H](C)Nc2nc(N)[nH]c(=O)c2N1C
Systematic name  (3)：
  • 1-[4-[[(R)-1-[(6S,7S)-2-アミノ-3,4,5,6,7,8-ヘキサヒドロ-5,7-ジメチル-4-オキソプテリジン-6-イル]エチル]アミノ]フェニル]-5-O-[5-O-[[(S)-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]-1-デオキシ-D-リビトール
  • (2S)-2-[({[(2R,3S,4R,5S)-5-{[(2R,3S,4S)-5-(4-{[(1R)-1-[(6S,7S)-2-アミノ-5,7-ジメチル-4-オキソ-3,4,5,6,7,8-ヘキサヒドロプテリジン-6-イル]エチル]アミノ}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
  • (2S)-2-[({[(2R,3S,4R,5S)-5-{[(2R,3S,4S)-5-(4-{[(1R)-1-[(6S,7S)-2-amino-5,7-dimethyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl]amino}phenyl)-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]pentanedioic acid
Other name (5)：
  • 1-[4-[[(R)-1-[(6S,7S)-2-Amino-3,4,5,6,7,8-hexahydro-5,7-dimethyl-4-oxopteridine-6-yl]ethyl]amino]phenyl]-5-O-[5-O-[[(S)-1,3-dicarboxypropoxy]hydroxyphosphinyl]-α-D-ribofuranosyl]-1-deoxy-D-ribitol
  • 5-Methyl-5,6,7,8-tetrahydromethanopterin
  • 5-Methyltetrahydromethanopterin
  • 5-Methyl-H4MPT
  • 5-メチルテトラヒドロメタノプテリン
CAS registry number： 92481-97-5
KEGG COMPOUND： C04488
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