3-Methylhistidine; (S)-form 

AlkaPlorer ID: AK306135

Synonym: L-form 

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

Structure

SMILES: CN1C=NC=C1CC(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)

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InChIKey: JDHILDINMRGULE-UHFFFAOYSA-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

Metabolism Information