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CHEBI:205550 - Aspochalasin V

ChEBI IDCHEBI:205550
ChEBI NameAspochalasin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO3S
Net Charge0
Average Mass431.642
Monoisotopic Mass431.24942
SMILESCS[C@@H]1CC(=O)CCC/C(C)=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@]32C1=O
InChIInChI=1S/C25H37NO3S/c1-14(2)10-20-22-17(5)16(4)12-18-11-15(3)8-7-9-19(27)13-21(30-6)23(28)25(18,22)24(29)26-20/h11-12,14,17-18,20-22H,7-10,13H2,1-6H3,(H,26,29)/b15-11+/t17-,18+,20+,21-,22+,25+/m1/s1
InChIKeySKBNNAZECLMWGM-URDOSIFYSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (25272329)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Aspochalasin V (CHEBI:205550) has role fungal metabolite (CHEBI:76946)
Aspochalasin V (CHEBI:205550) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1S,3R,9E,11S,14S,15R,16S)-9,13,14-trimethyl-16-(2-methylpropyl)-3-methylsulanyl-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione
Manual XrefsDatabases
34981319ChemSpider