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ChEBI
> Main
CHEBI:47794 - dihydrocamalexic acid
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ChEBI Ontology
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ChEBI Name
dihydrocamalexic acid
ChEBI ID
CHEBI:47794
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H10N2O2S
Net Charge
0
Average Mass
246.28608
Monoisotopic Mass
246.04630
InChI
InChI=1S/C12H10N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10,13H,6H2,(H,15,16)
InChIKey
GTTVJFCVXYCPHB-UHFFFAOYSA-N
SMILES
[H]n1cc(C2=NC(CS2)C(O)=O)c2ccccc12
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dihydrocamalexic acid (
CHEBI:47794
)
has functional parent
camalexin (
CHEBI:22990
)
dihydrocamalexic acid (
CHEBI:47794
)
is a
1,3-thiazoles (
CHEBI:38418
)
dihydrocamalexic acid (
CHEBI:47794
)
is a
imidothioate (
CHEBI:83991
)
dihydrocamalexic acid (
CHEBI:47794
)
is a
indoles (
CHEBI:24828
)
dihydrocamalexic acid (
CHEBI:47794
)
is a
monocarboxylic acid (
CHEBI:25384
)
Incoming
(
R
)-dihydrocamalexic acid (
CHEBI:47795
)
is a
dihydrocamalexic acid (
CHEBI:47794
)
(
S
)-dihydrocamalexic acid (
CHEBI:47796
)
is a
dihydrocamalexic acid (
CHEBI:47794
)
IUPAC Name
2-(1
H
-indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Last Modified
03 December 2014