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(Q82894766)
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English
3-(2-Carboxyethanesulfinyl)-N-(1-hydroxyethylidene)alanine
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
251.046358136
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₃NO₆S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)=NC(CS(=O)CCC(=O)O)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N[C@@H](CS(=O)CCC(=O)O)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H13NO6S/c1-5(10)9-6(8(13)14)4-16(15)3-2-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-,16?/m0/s1
0 references
InChIKey
MIANMZBSGSPFQC-AIUXZDRISA-N
0 references
CAS Registry Number
115473-37-5
0 references
PubChem CID
163966
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
63901461
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70921738
0 references
DSSTOX compound identifier
DTXCID001350628
0 references
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