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CHEBI:210144 - Brefeldin A formylate

Default Structure
ChEBI IDCHEBI:210144
ChEBI NameBrefeldin A formylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESC[C@H]1CCC/C=C\[C@@H]2C[C@H](OC=O)C[C@H]2[C@H](O)/C=C\C(=O)O1
InChIInChI=1S/C17H24O5/c1-12-5-3-2-4-6-13-9-14(21-11-18)10-15(13)16(19)7-8-17(20)22-12/h4,6-8,11-16,19H,2-3,5,9-10H2,1H3/b6-4-,8-7-/t12-,13+,14-,15+,16+/m0/s1
InChIKeyFYSPUNXLASVJRH-MILRXXLOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (19177238)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Brefeldin A formylate (CHEBI:210144) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[(1R,2R,3Z,7S,11Z,13S,15S)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] ormate
Manual XrefsDatabases
78441303ChemSpider