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:5658 - hentriacontan-16-one
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
hentriacontan-16-one
ChEBI ID
CHEBI:5658
Definition
A dialkyl ketone that is hentriacontane in which the hydrogens at position 16 are replaced by an oxo group.
Stars
This entity has been manually annotated by the ChEBI Team.
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
Formula
C31H62O
Net Charge
0
Average Mass
450.82340
Monoisotopic Mass
450.48007
InChI
InChI=1S/C31H62O/c1-
3-
5-
7-
9-
11-
13-
15-
17-
19-
21-
23-
25-
27-
29-
31(32)
30-
28-
26-
24-
22-
20-
18-
16-
14-
12-
10-
8-
6-
4-
2/h3-
30H2,1-
2H3
InChIKey
UNRFDARCMOHDBJ-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
anticonvulsant
A drug used to prevent seizures or reduce their severity.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hentriacontan-16-one (
CHEBI:5658
)
has parent hydride
hentriacontane (
CHEBI:5659
)
hentriacontan-16-one (
CHEBI:5658
)
has role
anticonvulsant (
CHEBI:35623
)
hentriacontan-16-one (
CHEBI:5658
)
has role
metabolite (
CHEBI:25212
)
hentriacontan-16-one (
CHEBI:5658
)
is a
dialkyl ketone (
CHEBI:18044
)
IUPAC Name
hentriacontan-16-one
Synonyms
Sources
16-Hentriacontanone
KEGG COMPOUND
dipentadecyl ketone
NIST Chemistry WebBook
Hentriacontan-16-one
KEGG COMPOUND
palmitone
ChemIDplus
Manual Xrefs
Databases
C00001253
KNApSAcK
C08379
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1802885
Beilstein Registry Number
Beilstein
1802885
Reaxys Registry Number
Reaxys
502-73-8
CAS Registry Number
NIST Chemistry WebBook
502-73-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11301859
PubMed citation
Europe PMC
20045039
PubMed citation
Europe PMC
Last Modified
28 July 2014