CHEBI:199849 - Glabramycin C

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ChEBI Name Glabramycin C
ChEBI ID CHEBI:199849
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O6
Net Charge 0
Average Mass 384.428
Monoisotopic Mass 384.15729
InChI InChI=1S/C22H24O6/c1-14-8-6-7-9-15-16(23)12-13-18-20(15)21(22(26)27-14)17(28-18)10-4-2-3-5-11-19(24)25/h2-5,10-15,18,20H,6-9H2,1H3,(H,24,25)/b3-2+,10-4+,11-5+/t14?,15-,18+,20+/m0/s1
InChIKey JNAUHZYEDHLHAJ-XGCDNSQESA-N
SMILES O=C1OC(CCCC[C@@H]2[C@H]3C1=C(O[C@@H]3C=CC2=O)/C=C/C=C/C=C/C(=O)O)C
Metabolite of Species Details
Aspergillus neoglaber (NCBI:txid41049) 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 Glabramycin C (CHEBI:199849) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(2E,4E,6E)-7-[(1R,12R,16S)-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadeca-9,13-dien-10-yl]hepta-2,4,6-trienoic acid
Manual Xref Database
34552223 ChemSpider
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