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(Q82622167)
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English
S-(1-Hydroxyhexan-3-yl)-L-cysteine
group of stereoisomers with the chemical formula C₉H₁₉NO₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
221.108564468
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₉NO₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC(CCO)SCC(N)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCC(CCO)SC[C@H](N)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H19NO3S/c1-2-3-7(4-5-11)14-6-8(10)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13)/t7?,8-/m0/s1
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InChIKey
GTJBXOQYHBJVCS-MQWKRIRWSA-N
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CAS Registry Number
205173-20-2
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ChEBI ID
156140
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
DSSTox substance ID
DTXSID10693149
0 references
DSSTOX compound identifier
DTXCID80643898
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KNApSAcK ID
C00060720
1 reference
based on heuristic
inferred from InChIKey
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