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CHEBI:165395 - 9,10,12,13-Tetrabromo-stearic acid

ChEBI IDCHEBI:165395
ChEBI Name9,10,12,13-Tetrabromo-stearic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32Br4O2
Net Charge0
Average Mass600.068
Monoisotopic Mass595.91358
SMILESCCCCCC(Br)C(Br)CC(Br)C(Br)CCCCCCCC(=O)O
InChIInChI=1S/C18H32Br4O2/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17H,2-13H2,1H3,(H,23,24)
InChIKeyHTORNZPNCYXGMR-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)
9,10,12,13-Tetrabromo-stearic acid (CHEBI:165395) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
9,10,12,13-tetrabromooctadecanoic acid
Manual XrefsDatabases
89368ChemSpider
LMFA01090085LIPID MAPS
Registry NumbersSources
CAS:1794-89-4ChemIDplus