01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Ergothioneine
- Molecular Formula
- C9H15N3O2S
- Molecular Weight
- No data
- Canonical SMILES
- C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)[O-]
- Isomeric SMILES
- C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]
- InChI
- InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.537
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient2 Herbs