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CHEBI:165375 - Majusculoic acid

ChEBI IDCHEBI:165375
ChEBI NameMajusculoic acid
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SubmitterMetaboLights
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FormulaC15H23BrO2
Net Charge0
Average Mass315.251
Monoisotopic Mass314.08814
SMILESCCC/C(Br)=C/C=C/CC[C@H]1C[C@@H]1CCC(=O)O
InChIInChI=1S/C15H23BrO2/c1-2-6-14(16)8-5-3-4-7-12-11-13(12)9-10-15(17)18/h3,5,8,12-13H,2,4,6-7,9-11H2,1H3,(H,17,18)/b5-3+,14-8-/t12-,13-/m0/s1
InChIKeyXSRLEFWNCQOETJ-SULJWLEGSA-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)
Majusculoic acid (CHEBI:165375) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
3-[(1S,2S)-2-[(3E,5Z)-6-bromonona-3,5-dienyl]cyclopropyl]propanoic acid
Manual XrefsDatabases
9776867ChemSpider
LMFA01140024LIPID MAPS