CHEBI:31746 - kainic acid

ChEBI IDCHEBI:31746
ChEBI Namekainic acid
Stars
Last Modified22 February 2017
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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-OOZYFLPDSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
excitatory amino acid agonist  An agent that binds to and activates excitatory amino acid receptors.
Applications:
excitatory amino acid agonist  An agent that binds to and activates excitatory amino acid receptors.
antinematodal drug  A substance used in the treatment or control of nematode infestations.
ChEBI Ontology
Outgoing Relation(s)
kainic acid (CHEBI:31746) has role antinematodal drug (CHEBI:35444)
kainic acid (CHEBI:31746) has role excitatory amino acid agonist (CHEBI:50103)
kainic acid (CHEBI:31746) is a L-proline derivative (CHEBI:84186)
kainic acid (CHEBI:31746) is a dicarboxylic acid (CHEBI:35692)
kainic acid (CHEBI:31746) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
kainic acid (CHEBI:31746) is a pyrrolidinecarboxylic acid (CHEBI:46767)
kainic acid (CHEBI:31746) is conjugate acid of kainate(1−) (CHEBI:156548)
Incoming Relation(s)
dihydrokainic acid (CHEBI:43562) has functional parent kainic acid (CHEBI:31746)
kainate(1−) (CHEBI:156548) is conjugate base of kainic acid (CHEBI:31746)
IUPAC Name 
(3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline
INNs  Source
acide kaïniqueChemIDplus
ácido kaínicoChemIDplus
acidum kainicumChemIDplus
kainic acidChemIDplus
Synonyms  Source
(2S-(2α,3β,4β))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acidChemIDplus
alpha- Kainic acidKEGG COMPOUND
alpha-Kainic acidKEGG COMPOUND
digenic acidChemIDplus
DigeninChemIDplus
DigensäureChEBI
Manual XrefsDatabases
3201DrugCentral
C12819KEGG COMPOUND
GB795750Patent
KAIPDBeChem
US2902492Patent
US2954384Patent
Registry NumbersSources
Beilstein:86660Beilstein
CAS:487-79-6ChemIDplus
CAS:487-79-6KEGG COMPOUND