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.
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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
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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