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:16472 - pentan-2-one
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
pentan-2-one
ChEBI ID
CHEBI:16472
Definition
A pentanone carrying an oxo substituent at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:7978, CHEBI:14748, CHEBI:25886
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C5H10O
Net Charge
0
Average Mass
86.13230
Monoisotopic Mass
86.07316
InChI
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIKey
XNLICIUVMPYHGG-UHFFFAOYSA-N
SMILES
CCCC(C)=O
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
pentan-2-one (
CHEBI:16472
)
has role
plant metabolite (
CHEBI:76924
)
pentan-2-one (
CHEBI:16472
)
is a
methyl ketone (
CHEBI:51867
)
pentan-2-one (
CHEBI:16472
)
is a
pentanone (
CHEBI:25892
)
Incoming
1-hydroxy-4-methylpentan-2-one (
CHEBI:195499
)
has functional parent
pentan-2-one (
CHEBI:16472
)
IUPAC Name
pentan-2-one
Synonyms
Sources
2-pentanone
ChEBI
2-Pentanone
KEGG COMPOUND
Methyl propyl ketone
KEGG COMPOUND
Pentan-2-one
KEGG COMPOUND
pentan-2-one
UniProt
Manual Xrefs
Databases
C01949
KEGG COMPOUND
HMDB0034235
HMDB
LMFA12000003
LIPID MAPS
Pentan-2-one
Wikipedia
PENTAN-2-ONE
MetaCyc
PNH
PDBeChem
View more database links
Registry Numbers
Types
Sources
107-87-9
CAS Registry Number
KEGG COMPOUND
107-87-9
CAS Registry Number
ChemIDplus
107-87-9
CAS Registry Number
NIST Chemistry WebBook
506058
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22364569
PubMed citation
Europe PMC
IND500714276
Agricola citation
Europe PMC
Last Modified
23 October 2015