Chem
J-GLOBAL ID：200907011625256803   Nikkaji number：J1.153.548H

H4MPT

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： C30H45N6O16P
Molecular formula furigana： C30-H45-N6-O16-P
Molecular weight： 776.690
InChI： InChI=1S/C30H45N6O16P/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/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,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-,21+,23+,24-,25-,29+/m1/s1
InChI key： SCBIBGUJSMHIAI-ZFNDZFOPSA-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)OC(CCC(=O)O)C(=O)O)[C@@H](O)[C@H]2O)cc1)[C@@H]1Nc2c(N[C@H]1C)nc(N)[nH]c2=O
Systematic name  (3)：
  • 1-[[(2S,3S,4S)-2,3,4-トリヒドロキシ-5-[4-[[(1R)-1-[(6S,7S)-2-アミノ-4-オキソ-7-メチル-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]ペンチル]オキシ]-1-デオキシ-α-D-リボフラノース5-[りん酸(1-カルボキシ-4-ヒドロキシ-4-オキソブチル)]
  • 2-[({[(2R,3S,4R,5S)-5-{[(2S,3S,4S)-5-(4-{[(1R)-1-[(6S,7S)-2-アミノ-7-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
  • 2-[({[(2R,3S,4R,5S)-5-{[(2S,3S,4S)-5-(4-{[(1R)-1-[(6S,7S)-2-amino-7-methyl-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 (4)：
  • 1-[[(2S,3S,4S)-2,3,4-Trihydroxy-5-[4-[[(1R)-1-[(6S,7S)-2-amino-4-oxo-7-methyl-3,4,5,6,7,8-hexahydropteridine-6-yl]ethyl]amino]phenyl]pentyl]oxy]-1-deoxy-α-D-ribofuranose 5-[phosphoric acid (1-carboxy-4-hydroxy-4-oxobutyl)] ester
  • テトラヒドロメタノプテリン
  • Tetrahydromethanopterin
  • H4MPT
KEGG COMPOUND： C01217
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