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Ethionine

CAT: 0931-T20128-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T20128-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13073-35-3
Target
Others, Amino Acids and Derivatives
Related Pathways
Others, Metabolism
Purity
0.9991
Bioactivity
Ethionine (NSC-82393) is an antimetabolite and methionine antagonist. It also produces liver neoplasms.
Smiles
CCSCC[C@H](N)C(O)=O
Molecular Formula
C6H13NO2S
Molecular Weight
163.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-Ethionine

L-ethionine is an S-ethylhomocysteine that has S-configuration at the chiral centre. It has a role as an antimetabolite and a carcinogenic agent. It is an enantiomer of a D-ethionine.

CAS Number13073-35-3
PubChem CID25674
IUPAC Name(2S)-2-amino-4-ethylsulfanylbutanoic acid
Molecular FormulaC6H13NO2S
Molecular Weight163.24
XLogP-1.5
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
CCSCC[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey
GGLZPLKKBSSKCX-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of L-Ethionine
CAS: 13073-35-3
CID: 25674
Formula: C6H13NO2S
MW: 163.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.24
XLogP3-1.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass163.06669983
Monoisotopic Mass163.06669983
Topological Polar Surface Area88.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
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

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Alternative Products

CatalogName
M23462-01Ethionine
BA9521-50L-Ethionine
sc-211177D-Ethionine
FE22863-01DL-Ethionine
sc-294393ADL-Ethionine sulfone
A23738-50L-Ethionine 50mg
A23738-10L-Ethionine 10mg
sc-326447ABoc-DL-ethionine

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