Chem
J-GLOBAL ID：200907071800847537   Nikkaji number：J2.750.003J

5,10-Methenyltetrahydromethanopterin

5,10-メテニ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： C31H44N5[N+]O16P
Molecular formula furigana： C31-H44-N6-O16-P
Molecular weight： 787.692
InChI： InChI=1S/C31H43N6O16P/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/h3-6,12-14,17-20,22,24-26,30,38-39,42-44H,7-11H2,1-2H3,(H6-,32,33,34,35,40,41,45,46,47,48,49)/p+1/t13-,14+,17-,18+,19?,20+,22+,24-,25+,26+,30-/m0/s1
InChI key： RANKJVUGLXUXOL-UQXKJNEMSA-O
SMILES： C[C@@H]1[C@H]2[C@H](C)Nc3nc(N)[nH]c(=O)c3N2C=[N+]1c1ccc(C[C@H](O)[C@H](O)[C@H](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)：
  • (6S,6aR,7R)-3-アミノ-8-[4-[(2S,3S,4R)-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-トリヒドロキシペンチル]フェニル]-1,2,5,6,6a,7-ヘキサヒドロ-6,7-ジメチル-1-オキソイミダゾ[1,5-f]プテリジン-8-イウム
  • (6S,6aR,7R)-3-アミノ-8-{4-[(2S,3S,4R)-5-{[(2S,3R,4S,5R)-5-({[(1,3-ジカルボキシプロポキシ)(ヒドロキシ)ホスホリル]オキシ}メチル)-3,4-ジヒドロキシオキソラン-2-イル]オキシ}-2,3,4-トリヒドロキシペンチル]フェニル}-6,7-ジメチル-1-オキソ-1H,2H,5H,6H,6aH,7H-8λ5-イミダゾ[1,5-f]プテリジン-8-イリウム
  • (6S,6aR,7R)-3-amino-8-{4-[(2S,3S,4R)-5-{[(2S,3R,4S,5R)-5-({[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-2,3,4-trihydroxypentyl]phenyl}-6,7-dimethyl-1-oxo-1H,2H,5H,6H,6aH,7H-8λ5-imidazo[1,5-f]pteridin-8-ylium
Other name (6)：
  • (6S,6aR,7R)-3-Amino-8-[4-[(2S,3S,4R)-5-[5-O-[(1,3-dicarboxypropoxy)hydroxyphosphinyl]-α-D-ribofuranosyloxy]-2,3,4-trihydroxypentyl]phenyl]-1,2,5,6,6a,7-hexahydro-6,7-dimethyl-1-oxoimidazo[1,5-f]pteridine-8-ium
  • 5,10-Methenyltetrahydromethanopterin
  • 5,10-Methenyl-5,6,7,8-tetrahydromethanopterin
  • N5,N10-Methenyltetrahydromethanopterin
  • 5,10-メテニルテトラヒドロメタノプテリン
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KEGG COMPOUND： C04330
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