β-Hydroxyergothioneine
AlkaPlorer ID: AK301099
Synonym: α-Carboxy-2,3-dihydro-β-hydroxy-N,N,N-trimethyl-2-thioxo-1H-imidazole-4-ethanaminium hydroxide inner salt, β-Hydroxy-2-mercaptohistidine trimethylbetaine
IUPAC Name: None
Structure
SMILES: C[N+](C)(C)C(C(=O)[O-])C(O)C1=CNC(=S)N1
InChI: InChI=1S/C9H15N3O3S/c1-12(2,3)6(8(14)15)7(13)5-4-10-9(16)11-5/h4,6-7,13H,1-3H3,(H2-,10,11,14,15,16)
InChIKey: CMSQAZRPSXLODS-UHFFFAOYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyophyllum connatum | Lyophyllum | Lyophyllaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 245.30400000000003
TPSA？: 91.94
MolLogP？: -1.0696099999999993
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|