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CHEBI:208067 - 18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene-17-ynoic acid methyl ester

ChEBI IDCHEBI:208067
ChEBI Name18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene-17-ynoic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25BrO4
Net Charge0
Average Mass385.298
Monoisotopic Mass384.09362
SMILESO=C(O)CCCCCCC[C@@H](O)/C=C/[C@@H]1O[C@H]1C/C=C\C#CBr
InChIInChI=1S/C18H25BrO4/c19-14-8-4-6-10-16-17(23-16)13-12-15(20)9-5-2-1-3-7-11-18(21)22/h4,6,12-13,15-17,20H,1-3,5,7,9-11H2,(H,21,22)/b6-4-,13-12+/t15-,16+,17+/m1/s1
InChIKeyWYIAGFGZYFISHV-JEISWCHQSA-N
Species of MetaboliteComponentSourceComments
Leptogium saturninum (ncbitaxon:243206) - DOI (10.1016/s0031-9422(99)00034-5)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene-17-ynoic acid methyl ester (CHEBI:208067) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,9R)-11-[(2S,3S)-3-[(Z)-5-bromopent-2-en-4-ynyl]oxiran-2-yl]-9-hydroxyundec-10-enoic acid
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