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Ovothiol A

CAT: 0931-T33832-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33832-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108418-13-9
Target
Others
Related Pathways
Others
Bioactivity
Ovothiol A protects eggs/embryos from the oxidative burst at fertilization and during development.This compound is unstable in powder form and other related salt forms are recommended.
Smiles
C([C@@H](C(O)=O)N)C1=C(S)N=CN1C
Molecular Formula
C7H11N3O2S
Molecular Weight
201.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-mercapto-3-methyl-L-histidine

Ovothiol A is a L-histidine derivative that is L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has a role as an antioxidant, a radical scavenger and a marine metabolite. It is an aryl thiol, a non-proteinogenic L-alpha-amino acid and a L-histidine derivative. It is a tautomer of an ovothiol A zwitterion.

CAS Number108418-13-9
PubChem CID130131
IUPAC Name(2S)-2-amino-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoic acid
Molecular FormulaC7H11N3O2S
Molecular Weight201.25
XLogP-2.8
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity202
SMILES
CN1C=NC(=C1C[C@@H](C(=O)O)N)S
InChI
InChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)/t4-/m0/s1
InChIKey
XWKKYVJREGXHFO-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of 5-mercapto-3-methyl-L-histidine
CAS: 108418-13-9
CID: 130131
Formula: C7H11N3O2S
MW: 201.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.25
XLogP3-2.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass201.05719778
Monoisotopic Mass201.05719778
Topological Polar Surface Area82.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5783371Ovothiol A
HY-141505Ovothiol A disulfide
GTR19193225-01Ovothiol C
GTR19264853-01Ovothiol A TFA

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