Chem
J-GLOBAL ID：200907055921476336   Nikkaji number：J2.751.522C

5-Methyltetrahydropteroyl tri-L-glutamate

5-メチルテトラヒドロプテロイルトリ-L-グルタメート
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： C30H39N9O12
Molecular formula furigana： C30-H39-N9-O12
Molecular weight： 717.693
InChI： InChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)28(49)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(46)34-17(6-9-20(40)41)26(47)35-18(7-10-21(42)43)27(48)36-19(29(50)51)8-11-22(44)45/h2-5,16-19,32H,6-13H2,1H3,(H,34,46)(H,35,47)(H,36,48)(H,40,41)(H,42,43)(H,44,45)(H,50,51)(H4,31,33,37,38,49)/t16-,17-,18-,19-/m0/s1
InChI key： VFXRLIPPZJJYES-VJANTYMQSA-N
SMILES： CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CNc2nc(N)[nH]c(=O)c12
Systematic name  (3)：
  • N-[4-[[(6S)-2-アミノ-3,4,5,6,7,8-ヘキサヒドロ-5-メチル-4-オキソプテリジン-6-イル]メチルアミノ]ベンゾイル]-L-Glu-L-Glu-L-Glu-OH
  • (2S)-2-[(2S)-2-[(2S)-2-{[4-({[(6S)-2-アミノ-5-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]メチル}アミノ)フェニル]ホルムアミド}-4-カルボキシブタンアミド]-4-カルボキシブタンアミド]ペンタン二酸
  • (2S)-2-[(2S)-2-[(2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
Other name (3)：
  • N-[4-[[(6S)-2-Amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxopteridine-6-yl]methylamino]benzoyl]-L-Glu-L-Glu-L-Glu-OH
  • 5-Methyltetrahydropteroyl tri-L-glutamate
  • 5-メチルテトラヒドロプテロイルトリ-L-グルタメート
KEGG COMPOUND： C04489
Thsaurus map：
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