Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:27819 - clavaldehyde
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
clavaldehyde
ChEBI ID
CHEBI:27819
Definition
An organic heterobicyclic compound that is clavulanic acid in which the allylic alcohol group has been oxidised to the corresponding aldehyde.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3735, CHEBI:23327
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C8H7NO5
Net Charge
0
Average Mass
197.14490
Monoisotopic Mass
197.03242
InChI
InChI=1S/C8H7NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1-2,6-7H,3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
InChIKey
NABDJFSYSZIMMH-PBFISZAISA-N
SMILES
OC(=O)[C@@H]1N2[C@@H](CC2=O)O\C1=C/C=O
Metabolite of Species
Details
Streptomyces clavuligerus
(NCBI:txid1901)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
clavaldehyde (
CHEBI:27819
)
has role
bacterial metabolite (
CHEBI:76969
)
clavaldehyde (
CHEBI:27819
)
is a
β-lactam (
CHEBI:35627
)
clavaldehyde (
CHEBI:27819
)
is a
enal (
CHEBI:51688
)
clavaldehyde (
CHEBI:27819
)
is a
organic heterobicyclic compound (
CHEBI:27171
)
clavaldehyde (
CHEBI:27819
)
is a
oxo monocarboxylic acid (
CHEBI:35871
)
clavaldehyde (
CHEBI:27819
)
is conjugate acid of
clavaldehyde(1−) (
CHEBI:78625
)
Incoming
clavaldehyde(1−) (
CHEBI:78625
)
is conjugate base of
clavaldehyde (
CHEBI:27819
)
IUPAC Name
(2
R
,3
Z
,5
R
)-
7-
oxo-
3-
(2-
oxoethylidene)-
4-
oxa-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
Synonyms
Sources
(3
R
,5
R
)-clavulanate-9-aldehyde
ChEBI
(3
R
,5
R
)-clavulanic acid-9-aldehyde
ChEBI
Clavulanate-9-aldehyde
KEGG COMPOUND
Manual Xrefs
Databases
C06661
KEGG COMPOUND
CPD-9260
MetaCyc
View more database links
Citations
Types
Sources
12426344
PubMed citation
Europe PMC
17279617
PubMed citation
Europe PMC
19941870
PubMed citation
Europe PMC
Last Modified
12 August 2014