CHEBI:197587 - Aspochalasin O

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ChEBI Name Aspochalasin O
ChEBI ID CHEBI:197587
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H39NO5
Net Charge 0
Average Mass 457.611
Monoisotopic Mass 457.28282
InChI InChI=1S/C27H39NO5/c1-14(2)9-21-24-18(6)16(4)11-20-10-15(3)7-8-22(30)23(31)13-19(12-17(5)29)25(32)27(20,24)26(33)28-21/h10-11,14,18-22,24,30H,7-9,12-13H2,1-6H3,(H,28,33)/b15-10+/t18-,19-,20+,21+,22-,24+,27+/m1/s1
InChIKey JUCPANRNKTTWAB-GEPXZTCASA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C(C[C@H]1CC(=O)C)=O)O)C)C)CC(C)C
Metabolite of Species Details
Mariannaea elegans (NCBI:txid509241) See: DOI
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.
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ChEBI Ontology
Outgoing Aspochalasin O (CHEBI:197587) has role fungal metabolite (CHEBI:76946)
Aspochalasin O (CHEBI:197587) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1S,3R,6R,9E,11S,14S,15R,16S)-6-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-3-(2-oxopropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione
Manual Xref Database
27024268 ChemSpider
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