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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:15423 - clavaminic acid
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ChEBI Ontology
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ChEBI Name
clavaminic acid
ChEBI ID
CHEBI:15423
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:14003, CHEBI:3733
Supplier Information
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Formula
C8H10N2O4
Net Charge
0
Average Mass
198.17608
Monoisotopic Mass
198.06406
InChI
InChI=1S/C8H10N2O4/c9-
2-
1-
4-
7(8(12)
13)
10-
5(11)
3-
6(10)
14-
4/h1,6-
7H,2-
3,9H2,(H,12,13)
/b4-
1-
/t6-
,7-
/m0/s1
InChIKey
GQHALSXZONOXGJ-WHJCQOFKSA-N
SMILES
[H][C@]12CC(=O)N1[C@H](C(O)=O)\C(O2)=C\CN
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
clavaminic acid (
CHEBI:15423
)
is a
monocarboxylic acid (
CHEBI:25384
)
clavaminic acid (
CHEBI:15423
)
is tautomer of
clavaminic acid zwitterion (
CHEBI:57300
)
Incoming
clavaminic acid zwitterion (
CHEBI:57300
)
is tautomer of
clavaminic acid (
CHEBI:15423
)
IUPAC Name
(2
S
,3
Z
,5
S
)-
3-
(2-
aminoethylidene)-
7-
oxo-
4-
oxa-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
Synonyms
Sources
Clavaminate
KEGG COMPOUND
Clavaminic acid
KEGG COMPOUND
Manual Xref
Database
C06660
KEGG COMPOUND
View more database links
Registry Number
Type
Source
3610424
Beilstein Registry Number
Beilstein
Last Modified
07 January 2019