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(Q82908139)
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English
S-(3,4-Dihydroxybutyl)-N-(1-hydroxyethylidene)cysteine
group of stereoisomers with the chemical formula C₉H₁₇NO₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
251.082743644
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₇NO₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)=NC(CSCCC(O)CO)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N[C@@H](CSCCC(O)CO)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H17NO5S/c1-6(12)10-8(9(14)15)5-16-3-2-7(13)4-11/h7-8,11,13H,2-5H2,1H3,(H,10,12)(H,14,15)/t7?,8-/m0/s1
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InChIKey
VGJNEDFZFZCLSX-MQWKRIRWSA-N
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CAS Registry Number
144889-50-9
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PubChem CID
44151464
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
165882
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
23848109
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60932439
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DSSTOX compound identifier
DTXCID201361130
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