Basic information
- CAS
73419-42-8- Standard SMILES
C[N+](C)(C)C(Cc1cnc([S-])[nH]1)C(=O)[O-].C[N+](C)(C)C(Cc1cnc([S-])[nH]1)C(=O)[O-].[Cd+2]- InChIKey
GRCOEYOEKVLFHW-UHFFFAOYSA-L- Molecular formula
- C18H28CdN6O4S2
- Average molar mass
- 569 g/mol
- Monoisotopic mass
- 570.064711
Overview
metallothionein which serves in a metal-sequestering mechanism
Names & identifiers
- Preferred name
- Cadmium-binding protein
- IUPAC
- cadmium(2+);bis(3-(2-sulfido-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate)
Names & synonyms
Cadmium-thioneinCadmium-binding Protein73419-42-8Cd-binding proteinRefChem:331551Cadmium-metallothionenDTXSID90994141cadmium(2+);3-(2-sulfido-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoateCadmium bis[3-(2-sulfido-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate]
Database identifiers
- CAS
73419-42-8- PubChem CID
- 198548
- DTXSID
DTXSID90994141
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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