Gabaculine
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Gabaculine
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CAS No:
59556-29-5
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Formula:
C7H9NO2
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Chemical Name:
Gabaculine
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Synonyms:
1,3-Cyclohexadiene-1-carboxylic acid,5-amino-,(5S)-;1,3-Cyclohexadiene-1-carboxylic acid,5-amino-,(S)-;(5S)-5-Amino-1,3-cyclohexadiene-1-carboxylic acid;Gabaculine;(S)-5-Aminocyclohexa-1,3-dienecarboxylic acid
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CAS No:
Description
(S)-gabaculine is the (S)-enantiomer of gabaculine. It has a role as a bacterial metabolite and an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor. It is an enantiomer of a (R)-gabaculine.
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
3-amino-2,3-dihydrobenzoic acid
Computed Properties
Molecular Weight:139.15
XLogP3:-2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.063328530
Monoisotopic Mass:139.063328530
Topological Polar Surface Area:63.3
Heavy Atom Count:10
Complexity:206
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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