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CHEBI:227619 - Grenadadiene

ChEBI IDCHEBI:227619
ChEBI NameGrenadadiene
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31BrO4
Net Charge0
Average Mass415.368
Monoisotopic Mass414.14057
SMILESCCCCCCC[C@H]1C[C@@H]1CCC(=O)O/C=C\C=C(/Br)COC(C)=O
InChIInChI=1S/C20H31BrO4/c1-3-4-5-6-7-9-17-14-18(17)11-12-20(23)24-13-8-10-19(21)15-25-16(2)22/h8,10,13,17-18H,3-7,9,11-12,14-15H2,1-2H3/b13-8-,19-10-/t17-,18-/m0/s1
InChIKeyIGWLQLNRNKKQCR-QMGMKAADSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (9599279)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Grenadadiene (CHEBI:227619) is a carbocyclic fatty acid (CHEBI:35744)
IUPAC Name 
[(1Z,3Z)-5-acetyloxy-4-bromopenta-1,3-dienyl] 3-[(1S,2S)-2-heptylcyclopropyl]propanoate
Manual XrefsDatabases
9010942ChemSpider