CHEBI:204509 - Berkeleyamide C

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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 Berkeleyamide C
ChEBI ID CHEBI:204509
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26N2O6
Net Charge 0
Average Mass 414.458
Monoisotopic Mass 414.17909
InChI InChI=1S/C22H26N2O6/c1-14(2)11-20(28)23-22(29)17-13-24(9-10-25)18(12-19(17)27)21(30-15(3)26)16-7-5-4-6-8-16/h4-8,12-14,21,25H,9-11H2,1-3H3,(H,23,28,29)/t21-/m0/s1
InChIKey SORSUPGCQWSYDP-NRFANRHFSA-N
SMILES O=C1C(C(=O)NC(=O)CC(C)C)=CN(CCO)C(=C1)[C@@H](OC(=O)C)C2=CC=CC=C2
Metabolite of Species Details
Talaromyces ruber (NCBI:txid1266769) See: PubMed
ChEBI Ontology
Outgoing Berkeleyamide C (CHEBI:204509) has functional parent benzyl alcohol (CHEBI:17987)
Berkeleyamide C (CHEBI:204509) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[[1-(2-hydroxyethyl)-5-(3-methylbutanoylcarbamoyl)-4-oxopyridin-2-yl]-phenylmethyl] acetate
Manual Xref Database
24694048 ChemSpider
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