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(Q27982916)
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English
4,5-dehydropipecolic acid
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
chemical structure
1,2,3,6-tetrahydropyridine-2-carboxylic acid.svg
116 × 95; 5 KB
0 references
mass
127.1414
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₉NO₂
0 references
canonical SMILES
O=C(O)C1NCC=CC1
0 references
Identifiers
InChI
InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)
0 references
InChIKey
YCQPUTODZKESPK-UHFFFAOYSA-N
1 reference
stated in
ChemIDplus
title
4,5-Dehydropipecolic acid
(English)
retrieved
9 December 2016
reference URL
https://chem.nlm.nih.gov/chemidplus/rn/498-98-6
CAS Registry Number
498-98-6
2 references
stated in
ChemIDplus
title
4,5-Dehydropipecolic acid
(English)
retrieved
9 December 2016
reference URL
https://chem.nlm.nih.gov/chemidplus/rn/498-98-6
InChIKey
YCQPUTODZKESPK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=498-98-6
DSSTox substance ID
DTXSID20964413
0 references
DSSTOX compound identifier
DTXCID10964109
0 references
Human Metabolome Database ID
HMDB0302856
1 reference
based on heuristic
inferred from InChIKey
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