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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
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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 (Br
o
nsted 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.