Chem
J-GLOBAL ID：200907098002180278   Nikkaji number：J2.760.657A

7,8-Dihydromethanopterin

7,8-ジ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： C30H43N6O16P
Molecular formula furigana： C30-H43-N6-O16-P
Molecular weight： 774.674
InChI： InChI=1S/C30H43N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,23-25,29,32,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1
InChI key： WTMBWYHMZCVPRJ-WJBIZLLUSA-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)C1=Nc2c(N[C@H]1C)nc(N)[nH]c2=O
Systematic name  (3)：
  • (7S)-2-アミノ-7,8-ジヒドロ-7-メチル-6-[(R)-1-[4-[(2S,3S,4R)-2,3,4-トリヒドロキシ-5-[5-O-[[(1S)-1,3-ジカルボキシプロピル]ホスホノ]-α-D-リボフラノシルオキシ]ペンチル]アニリノ]エチル]プテリジン-4(3H)-オン
  • (2S)-2-[({[(2R,3S,4R,5S)-5-{[(2R,3S,4S)-5-(4-{[(1R)-1-[(7S)-2-アミノ-7-メチル-4-オキソ-3,4,7,8-テトラヒドロプテリジン-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-[(7S)-2-amino-7-methyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl]ethyl]amino}phenyl)-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]pentanedioic acid
Other name (3)：
  • (7S)-2-Amino-7,8-dihydro-7-methyl-6-[(R)-1-[4-[(2S,3S,4R)-2,3,4-trihydroxy-5-[5-O-[[(1S)-1,3-dicarboxypropyl]phosphono]-α-D-ribofuranosyloxy]pentyl]anilino]ethyl]pteridine-4(3H)-one
  • 7,8-Dihydromethanopterin
  • 7,8-ジヒドロメタノプテリン
KEGG COMPOUND： C05927
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