EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31326 - Butoctamide hydrogen succinate

ChEBI IDCHEBI:31326
ChEBI NameButoctamide hydrogen succinate
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC16H29NO5
Net Charge0
Average Mass315.410
Monoisotopic Mass315.20457
SMILESCCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(=O)O
InChIInChI=1S/C16H29NO5/c1-4-6-7-13(5-2)11-17-14(18)10-12(3)22-16(21)9-8-15(19)20/h12-13H,4-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyCQONVBIGUJWUFE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Butoctamide hydrogen succinate (CHEBI:31326) is a dicarboxylic acid monoester (CHEBI:36244)
Butoctamide hydrogen succinate (CHEBI:31326) is a hemisuccinate (CHEBI:138979)
Butoctamide hydrogen succinate (CHEBI:31326) is a secondary carboxamide (CHEBI:140325)
Synonyms  Source
Butoctamide hydrogen succinateKEGG COMPOUND
Butoctamide semisuccinateKEGG COMPOUND
Manual XrefsDatabases
C12946KEGG COMPOUND
D01498KEGG DRUG
Registry NumbersSources
CAS:32838-28-1KEGG COMPOUND