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:15424 - dihydroclavaminic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
dihydroclavaminic acid
ChEBI ID
CHEBI:15424
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:12884, CHEBI:14146, CHEBI:4558
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
C8H12N2O4
Net Charge
0
Average Mass
200.19196
Monoisotopic Mass
200.07971
InChI
InChI=1S/C8H12N2O4/c9-2-1-4-7(8(12)13)10-5(11)3-6(10)14-4/h4,6-7H,1-3,9H2,(H,12,13)/t4-,6+,7+/m1/s1
InChIKey
BONQGFBLZGPXMG-PIYBLCFFSA-N
SMILES
[H][C@]12CC(=O)N1[C@@H]([C@@H](CCN)O2)C(O)=O
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
dihydroclavaminic acid (
CHEBI:15424
)
is a
monocarboxylic acid (
CHEBI:25384
)
dihydroclavaminic acid (
CHEBI:15424
)
is tautomer of
dihydroclavaminic acid zwitterion (
CHEBI:57301
)
Incoming
dihydroclavaminic acid zwitterion (
CHEBI:57301
)
is tautomer of
dihydroclavaminic acid (
CHEBI:15424
)
IUPAC Name
(2
S
,3
R
,5
S
)-
3-
(2-
aminoethyl)-
7-
oxo-
4-
oxa-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
Synonyms
Sources
Dihydroclavaminate
KEGG COMPOUND
Dihydroclavaminic acid
KEGG COMPOUND
Manual Xref
Database
C06659
KEGG COMPOUND
View more database links
Registry Number
Type
Source
6143854
Beilstein Registry Number
Beilstein
Last Modified
07 January 2019