Molecule ID: 86289064

IUPAC Name: nan

Description: The molecule is a histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine substituted by a selenoxo group at position 2 on the imidazole ring. A selenium-containing antioxidant found in tuna blood. It has a role as a fungal metabolite, a marine metabolite and an antioxidant. It is an amino-acid betaine and a L-histidine derivative.

SMILES: C[N+](C)(C)[C@@H](Cc1cnc([Se])[nH]1)C(=O)[O-]

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][N][C][C][=C][N][=C][Branch1][C][Se][NH1][Ring1][=Branch1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C9H14N3O2Se/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H-,10,11,13,14)/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 68.8 Ų
- LogP: nan