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(Q82240537)
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English
(1S,2S)-2-Aminocyclohexanecarboxylic Acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
143.094628656
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1R,2R)-2-aminocyclohexane-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₁₃NO₂
1 reference
stated in
RCSB protein data bank
PDB ligand ID
E6F
language of work or name
English
retrieved
16 February 2021
canonical SMILES
C1CCC(C(C1)C(=O)O)N
1 reference
stated in
RCSB protein data bank
PDB ligand ID
E6F
language of work or name
English
retrieved
16 February 2021
isomeric SMILES
C1CC[C@@H]([C@H](C1)C(=O)O)N
1 reference
stated in
RCSB protein data bank
PDB ligand ID
E6F
language of work or name
English
retrieved
16 February 2021
Identifiers
InChI
InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
0 references
InChIKey
USQHEVWOPJDAAX-WDSKDSINSA-N
0 references
CAS Registry Number
24716-93-6
0 references
PubChem CID
7128322
1 reference
matched by identifier from
InChIKey
InChIKey
USQHEVWOPJDAAX-WDSKDSINSA-N
7128323
1 reference
matched by identifier from
InChIKey
InChIKey
USQHEVWOPJDAAX-WDSKDSINSA-N
SureChEMBL ID
SCHEMBL48334
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
USQHEVWOPJDAAX-WDSKDSINSA-N
DSSTox substance ID
DTXSID90427828
1 reference
matched by identifier from
InChIKey
InChIKey
USQHEVWOPJDAAX-WDSKDSINSA-N
DSSTOX compound identifier
DTXCID70378662
0 references
PDB ligand ID
E6F
0 references
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