CHEBI:210144 - Brefeldin A formylate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Brefeldin A formylate
ChEBI ID CHEBI:210144
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24O5
Net Charge 0
Average Mass 308.374
Monoisotopic Mass 308.16237
InChI InChI=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
InChIKey FYSPUNXLASVJRH-MILRXXLOSA-N
SMILES O=C1O[C@H](CCCC=C[C@H]2[C@H]([C@@H](C=C1)O)C[C@@H](OC=O)C2)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
78441303 ChemSpider
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