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:15977 - cyclohex-2-enone
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
cyclohex-2-enone
ChEBI ID
CHEBI:15977
Definition
A cyclohexenone having its C=C double bond at the 2-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:4007, CHEBI:14047, CHEBI:23463
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
expand
Formula
C6H8O
Net Charge
0
Average Mass
96.129
Monoisotopic Mass
96.05751
InChI
InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKey
FWFSEYBSWVRWGL-UHFFFAOYSA-N
SMILES
O=C1CCCC=C1
ChEBI Ontology
Outgoing
cyclohex-2-enone (
CHEBI:15977
)
is a
cyclohexenone (
CHEBI:48951
)
Incoming
(4
R
,5
S
,6
R
)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one (
CHEBI:4077
)
has functional parent
cyclohex-2-enone (
CHEBI:15977
)
5
D
-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one (
CHEBI:16694
)
has functional parent
cyclohex-2-enone (
CHEBI:15977
)
IUPAC Name
cyclohex-2-en-1-one
Synonyms
Sources
1-cyclohexen-3-one
NIST Chemistry WebBook
2-cyclohexen-1-one
ChEBI
2-Cyclohexen-1-one
KEGG COMPOUND
2-cyclohexenone
NIST Chemistry WebBook
3-oxocyclohexene
ChemIDplus
Cyclohex-2-enone
KEGG COMPOUND
cyclohex-2-enone
UniProt
cyclohexen-3-one
NIST Chemistry WebBook
Manual Xrefs
Databases
A2Q
PDBeChem
C02395
KEGG COMPOUND
CPD-282
MetaCyc
View more database links
Registry Numbers
Types
Sources
1280477
Reaxys Registry Number
Reaxys
2792
Gmelin Registry Number
Gmelin
930-68-7
CAS Registry Number
ChemIDplus
930-68-7
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
10435317
PubMed citation
Europe PMC
11380545
PubMed citation
Europe PMC
11923299
PubMed citation
Europe PMC
12240358
PubMed citation
Europe PMC
15816743
PubMed citation
Europe PMC
17705547
PubMed citation
Europe PMC
18384020
PubMed citation
Europe PMC
24563324
PubMed citation
Europe PMC
24954722
PubMed citation
Europe PMC
27037735
PubMed citation
Europe PMC
28260378
PubMed citation
Europe PMC
28422498
PubMed citation
Europe PMC
29048164
PubMed citation
Europe PMC
29611891
PubMed citation
Europe PMC
30290292
PubMed citation
Europe PMC
31590101
PubMed citation
Europe PMC
32345013
PubMed citation
Europe PMC
33595902
PubMed citation
Europe PMC
8828923
PubMed citation
Europe PMC
IND500890908
Agricola citation
Europe PMC
Last Modified
20 May 2021