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Ovothiol A

CAT: 0013-GTR19193226-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193226-03Size:25 mg
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Description
Ovothiol A is a protective antioxidant that safeguards eggs and embryos from oxidative stress during fertilization and development. Its instability in powder form makes stabilized salt derivatives preferable for research applications in developmental biology and oxidative stress studies, both in vitro and in vivo.
CAS Number
108418-13-9
Smiles
C ([C@@H] (C (O) =O) N) C1=C (S) N=CN1C
Molecular Formula
C7H11N3O2S
Molecular Weight
201.25
Storage Conditions
-20°C
Notes
For research use only.

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
T33833-01Ovothiol C

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