3-methylhistidine

AlkaPlorer ID: AK001447

Synonym: 'Tau-methylhistidine', '(2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid', 'N-pros-Methyl-L-histidine', 'N(pai)-Methyl-L-histidine', '3-methyl-DL-histidine', '1-Methylhistidine', '3-Methylhistidine', '3-Methyl-L-histidine', '3-methylhistidine', 'N(pros)-methyl-L-histidine'

IUPAC Name: (2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid

Structure

SMILES: CN1C=NC=C1C[C@H](N)C(=O)O

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InChI: InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1

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InChIKey: JDHILDINMRGULE-LURJTMIESA-N

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Properties Information

Molecule Weight: 169.184

TPSA: 81.14

MolLogP: -0.6254999999999993

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Histidine decarboxylase Inhibition 0.0 % 10.1021/jm00214a009

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014681 C[SAH].N[C@@H](Cc1c[nH]cn1)C(=O)O>>Cn1cncc1C[C@H](N)C(=O)O R01159
AKRT015559 Cn1cncc1C[C@H](N)C(=O)O.NCCC(=O)O>>Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O R03286
AKRT015560 Cn1cncc1C[C@H](NC(=O)CCN)C(=O)O>>Cn1cncc1C[C@H](N)C(=O)O R03288