CHEBI:207164 - Penazaphilone A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Penazaphilone A
ChEBI ID CHEBI:207164
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H34ClNO6
Net Charge 0
Average Mass 504.020
Monoisotopic Mass 503.20747
InChI InChI=1S/C27H34ClNO6/c1-8-16(4)12-17(5)9-10-19-13-20-21(14-29(19)22(26(33)34)11-15(2)3)24(31)27(7,35-18(6)30)25(32)23(20)28/h9-10,12-16,22H,8,11H2,1-7H3,(H,33,34)/t16-,22?,27-/m0/s1
InChIKey CNZFWLBJCSNNHK-SOKXFTHGSA-N
SMILES ClC1=C2C(C(=O)[C@@](C1=O)(OC(=O)C)C)=CN(C(C(=O)O)CC(C)C)C(=C2)C=CC(=C[C@H](CC)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penazaphilone A (CHEBI:207164) is a leucine derivative (CHEBI:47003)
IUPAC Name
2-[(7S)-7-acetyloxy-5-chloro-3-[(5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisoquinolin-2-yl]-4-methylpentanoic acid