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(Q82733955)
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3-(Methylsulfanyl)-D-aspartic acid
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
179.025228768
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅H₉NO₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CSC(C(=O)O)C(N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CSC(C(=O)O)[C@@H](N)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3?/m1/s1
0 references
InChIKey
AOSGDBLMPHPJQU-STYMGOOTSA-N
0 references
CAS Registry Number
193206-14-3
0 references
PubChem CID
71347298
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45233888
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80773240
0 references
DSSTOX compound identifier
DTXCID40723983
0 references
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