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(Q82244095)
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English
3-[(S)-Butane-1-sulfinyl]-L-alanine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-amino-3-(butane-1-sulfinyl)propanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
193.07726434
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R)-2-amino-3-[(R)-butylsulfinyl]propanoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₁₅NO₃S
0 references
canonical SMILES
O=C(O)C(N)C[S+]([O-])CCCC
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isomeric SMILES
CCCC[S@+]([O-])C[C@H](N)C(=O)O
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Identifiers
InChI
InChI=1S/C7H15NO3S/c1-2-3-4-12(11)5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-,12-/m0/s1
0 references
InChIKey
CBFHOPPJBYHALQ-QTTZVWFDSA-N
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CAS Registry Number
20702-80-1
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PubChem CID
9574102
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
25763849
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
7174478
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00430520
0 references
DSSTOX compound identifier
DTXCID70381353
0 references
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