CHEBI:49519 - 12-bromododecanoic acid

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ChEBI Name 12-bromododecanoic acid ChEBI ID CHEBI:49519 Definition A bromo fatty acid consisting of lauric acid having a single bromo-substituent at the 12-position. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:49518, CHEBI:30806 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H23BrO2 Net Charge 0 Average Mass 279.21382 Monoisotopic Mass 278.08814 InChI InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15) InChIKey YYKBWYBUCFHYPR-UHFFFAOYSA-N SMILES OC(=O)CCCCCCCCCCCBr Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 12-Br 12:0 ChEBI 12-Brom-dodecansäure ChEBI 12-bromo-1-dodecanoic acid ChEBI 12-bromolauric acid ChEBI C12-Br 12:0 ChEBI Manual Xrefs Databases BRC PDBeChem DB02405 DrugBank LMFA01090007 LIPID MAPS View more database links Registry Numbers Types Sources 1530040 Gmelin Registry Number Gmelin 1771588 Beilstein Registry Number Beilstein 1771588 Reaxys Registry Number Reaxys 73367-80-3 CAS Registry Number ChemIDplus Citations Types Sources 15849199 PubMed citation Europe PMC 9827560 PubMed citation Europe PMC Last Modified 14 April 2011

General Comment 2011-04-14 Used as a fatty acid ligand model in X-ray crystallography.