CHEBI:81374 - alpha-Allokainic acid

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ChEBI Name alpha-Allokainic acid
ChEBI ID CHEBI:81374
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H15NO4
Net Charge 0
Average Mass 213.23040
Monoisotopic Mass 213.10011
InChI InChI=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
InChIKey VLSMHEGGTFMBBZ-ZKWXMUAHSA-N
SMILES CC(=C)[C@@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
C17904 KEGG COMPOUND
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Registry Number Type Source
4071-39-0 CAS Registry Number KEGG COMPOUND
Last Modified
07 January 2015