CHEBI:200340 - Aspochalasin J

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 Aspochalasin J
ChEBI ID CHEBI:200340
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H35NO4
Net Charge 0
Average Mass 401.547
Monoisotopic Mass 401.25661
InChI InChI=1S/C24H35NO4/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)29-24(18,22)23(28)25-20/h9-10,12-14,17-20,22,26H,6-8,11H2,1-5H3,(H,25,28)/b10-9+,15-12+/t17-,18+,19+,20+,22+,24-/m1/s1
InChIKey HXVGXVHKKDWYHZ-CEEOZWHRSA-N
SMILES O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CCC[C@@H](C=C1)O)C)C)CC(C)C
Metabolite of Species Details
Aspergillus flavipes (NCBI:txid41900) 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 Aspochalasin J (CHEBI:200340) has role fungal metabolite (CHEBI:76946)
Aspochalasin J (CHEBI:200340) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1R,4E,6S,10E,12S,15S,16S,17S)-6-hydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-4,10,13-triene-3,19-dione
Manual Xref Database
10186296 ChemSpider
View more database links
Last Modified
30 October 2023