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CHEBI:49519 - 12-bromododecanoic acid

ChEBI IDCHEBI:49519
ChEBI Name12-bromododecanoic acid
Stars
DefinitionA bromo fatty acid consisting of lauric acid having a single bromo-substituent at the 12-position.
Secondary ChEBI IDsCHEBI:30806, CHEBI:49518
Last Modified14 April 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H23BrO2
Net Charge0
Average Mass279.218
Monoisotopic Mass278.08814
SMILESO=C(O)CCCCCCCCCCCBr
InChIInChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
InChIKeyYYKBWYBUCFHYPR-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)
12-bromododecanoic acid (CHEBI:49519) has functional parent dodecanoic acid (CHEBI:30805)
12-bromododecanoic acid (CHEBI:49519) is a bromo fatty acid (CHEBI:61709)
IUPAC Name 
12-bromododecanoic acid
Synonyms  Source
12-Br 12:0ChEBI
12-Brom-dodecansäureChEBI
12-bromo-1-dodecanoic acidChEBI
12-bromolauric acidChEBI
C12-Br 12:0ChEBI
Manual XrefsDatabases
BRCPDBeChem
DB02405DrugBank
LMFA01090007LIPID MAPS
Registry NumbersSources
Gmelin:1530040Gmelin
Reaxys:1771588Reaxys
Beilstein:1771588Beilstein
CAS:73367-80-3ChemIDplus
Citations