CHEBI:221711 - Aspochalasin P

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ChEBI Name Aspochalasin P
ChEBI ID CHEBI:221711
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/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h11-13,16-19,22,26H,6-10H2,1-5H3,(H,25,29)/b14-11+/t16-,17+,18+,19-,22+,24-/m1/s1
InChIKey ULCFKAWMNZMXPT-RRRFKTONSA-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(CC1)=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 P (CHEBI:221711) has role fungal metabolite (CHEBI:76946)
Aspochalasin P (CHEBI:221711) is a cytochalasin (CHEBI:23528)
IUPAC Name
(1S,6R,9E,11S,14S,15R,16S)-6-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione
Manual Xref Database
27024269 ChemSpider
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