Molecular Identity
3-Methyl-L-Histidine
(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
PubChem CID: 64969
N(pros)-methyl-L-histidine is a L-histidine derivative that is L-histidine substituted by a methyl group at position 3 on the imidazole ring. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is a non-proteinogenic L-alpha-amino acid and a L-histidine derivative. It is a tautomer of a N(pros)-methyl-L-histidine zwitterion.
2D Structure
Properties
C7H11N3O2
Molecular Formula
169.18
Molecular Weight
g/mol
169.0851
Exact Mass
Da
-3.3
XLogP
Drug-like (Lipinski: < 5)
81.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
174
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=NC=C1CC(C(=O)O)NIsomeric SMILES
SMILES: CN1C=NC=C1C[C@@H](C(=O)O)NSynonyms(20)
3-Methyl-L-histidine368-16-13-MethylhistidineL-Histidine, 3-methyl-(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acidMEH8O8Y0H0DTXSID90920521(2S)-2-azaniumyl-3-(3-methylimidazol-4-yl)propanoateCHEBI:70959DTXSID30861904ntau-methylhistidine3-MeHisN tau-methylhistidinen(tau)-methylhistidineRefChem:504237
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 3-Methyl-L-Histidine
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