Ergothioneine; S-(2-Hydroxyethyl)
AlkaPlorer ID: AK297696
Synonym: Sclerothionine
IUPAC Name: None
Structure
SMILES: C[N+](C)(C)C(CC1=CNC(SCCO)=N1)C(=O)[O-]
InChI: InChI=1S/C11H19N3O3S/c1-14(2,3)9(10(16)17)6-8-7-12-11(13-8)18-5-4-15/h7,9,15H,4-6H2,1-3H3,(H-,12,13,16,17)
InChIKey: HXAHFTCGXFDSTP-UHFFFAOYSA-N
Reference
CAS: 19833-41-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sclerotinia | Sclerotiniaceae | Helotiales | Leotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 273.358
TPSA？: 89.03999999999999
MolLogP？: -1.1386999999999987
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|