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:9752 - tritriacontane-16,18-dione
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
tritriacontane-16,18-dione
ChEBI ID
CHEBI:9752
Definition
A β-diketone that is tritriacontane with oxo groups at positions 16 and 18.
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
C33H64O2
Net Charge
0
Average Mass
492.86010
Monoisotopic Mass
492.49063
InChI
InChI=1S/C33H64O2/c1-
3-
5-
7-
9-
11-
13-
15-
17-
19-
21-
23-
25-
27-
29-
32(34)
31-
33(35)
30-
28-
26-
24-
22-
20-
18-
16-
14-
12-
10-
8-
6-
4-
2/h3-
31H2,1-
2H3
InChIKey
BYKYTXUAKJDVPV-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing
tritriacontane-16,18-dione (
CHEBI:9752
)
has parent hydride
tritriacontane (
CHEBI:9751
)
tritriacontane-16,18-dione (
CHEBI:9752
)
is a
β-diketone (
CHEBI:67265
)
IUPAC Name
tritriacontane-16,18-dione
Synonyms
Sources
N-Tritriacontane-16,18-dione
KEGG COMPOUND
Tritriacontane-16,18-dione
KEGG COMPOUND
Manual Xrefs
Databases
C00001271
KNApSAcK
C08394
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1890841
Reaxys Registry Number
Reaxys
1890841
Beilstein Registry Number
Beilstein
24514-86-1
CAS Registry Number
ChemIDplus
Last Modified
28 July 2014