Anserine
(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
Molecular Identity
Anserine
(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
PubChem CID: 112072
Anserine is a dipeptide comprising of beta-alanine and 3-methyl-L-histidine units. It has a role as an animal metabolite and a mouse metabolite. It is a beta-alanine derivative and a dipeptide. It is a tautomer of an anserine zwitterion.
2D Structure
Properties
C10H16N4O3
Molecular Formula
240.26
Molecular Weight
g/mol
240.1222
Exact Mass
Da
-4
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
285
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=NC=C1CC(C(=O)O)NC(=O)CCNIsomeric SMILES
SMILES: CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCNSynonyms(20)
L-AnserineANSERINE584-85-0beta-alanyl-3-methyl-L-histidineDTXSID30973950HDQ4N37UGVCHEBI:18323(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acidL-Histidine, N-beta-alanyl-3-methyl-(2S)-2-(3-aminopropanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acidBalanineBeta Alanyl 3 MethylhistidineBeta-Alanyl-3-MethylhistidineRefChem:915936DTXCID201401390
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Anserine
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