CHEBI:215955 - Phomacin E

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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 Phomacin E
ChEBI ID CHEBI:215955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H35NO5
Net Charge 0
Average Mass 429.557
Monoisotopic Mass 429.25152
InChI InChI=1S/C25H35NO5/c1-13(2)6-19-23-16(5)15(4)9-18-8-14(3)7-17(12-27)10-20(28)21(29)11-22(30)25(18,23)24(31)26-19/h8-9,13,16-19,23,27H,6-7,10-12H2,1-5H3,(H,26,31)/t16-,17+,18+,19+,23+,25-/m1/s1
InChIKey UEQMQQKCTPJFDD-LTNGKSFESA-N
SMILES O=C1C(=O)C[C@H](CC(C)=C[C@@H]2[C@]3(C(C1)=O)C(=O)N[C@H]([C@@H]3[C@H](C)C(=C2)C)CC(C)C)CO
Metabolite of Species Details
Parastagonospora nodorum SN15 (NCBI:txid321614) See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Phomacin E (CHEBI:215955) has role fungal metabolite (CHEBI:76946)
Phomacin E (CHEBI:215955) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1S,7S,11S,14S,15R,16S)-7-(hydroxymethyl)-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,4,5,18-tetrone