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CHEBI:81374 - alpha-Allokainic acid

ChEBI IDCHEBI:81374
ChEBI Namealpha-Allokainic acid
Stars
Last Modified7 January 2015
DownloadsMolfile
FormulaC10H15NO4
Net Charge0
Average Mass213.233
Monoisotopic Mass213.10011
SMILESC=C(C)[C@@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
InChIInChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7-,9-/m0/s1
InChIKeyVLSMHEGGTFMBBZ-ZKWXMUAHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
alpha-Allokainic acid (CHEBI:81374) is a L-proline derivative (CHEBI:84186)
alpha-Allokainic acid (CHEBI:81374) is a dicarboxylic acid (CHEBI:35692)
alpha-Allokainic acid (CHEBI:81374) is a pyrrolidinecarboxylic acid (CHEBI:46767)
Manual XrefsDatabases
C17904KEGG COMPOUND
Registry NumbersSources
CAS:4071-39-0KEGG COMPOUND