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CHEBI:87839 - cytochalasin Z16

ChEBI IDCHEBI:87839
ChEBI Namecytochalasin Z16
Stars
ASCII Namecytochalasin Z16
DefinitionA cytochalasan alkaloid found in Aspergillus clavatus.
Last Modified3 August 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC28H33NO5
Net Charge0
Average Mass463.574
Monoisotopic Mass463.23587
SMILES[H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]13OC(=O)O/C=C/[C@H](C)C(=O)[C@@H](C)C/C=C/[C@H]3C=C(C)[C@H]2C
InChIInChI=1S/C28H33NO5/c1-17-9-8-12-22-15-19(3)20(4)24-23(16-21-10-6-5-7-11-21)29-26(31)28(22,24)34-27(32)33-14-13-18(2)25(17)30/h5-8,10-15,17-18,20,22-24H,9,16H2,1-4H3,(H,29,31)/b12-8+,14-13+/t17-,18-,20+,22-,23-,24-,28+/m0/s1
InChIKeyDDDUJNASCQCTDS-MXWWOFSUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus clavatus (ncbitaxon:5057) - PubMed (24838010)
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cytochalasin Z16 (CHEBI:87839) has role Aspergillus metabolite (CHEBI:76956)
cytochalasin Z16 (CHEBI:87839) is a cyclic carbonate ester (CHEBI:46838)
cytochalasin Z16 (CHEBI:87839) is a cyclic ketone (CHEBI:3992)
cytochalasin Z16 (CHEBI:87839) is a cytochalasan alkaloid (CHEBI:75946)
cytochalasin Z16 (CHEBI:87839) is a macrocycle (CHEBI:51026)
cytochalasin Z16 (CHEBI:87839) is a organic heterotricyclic compound (CHEBI:26979)
cytochalasin Z16 (CHEBI:87839) is a γ-lactam (CHEBI:74222)
IUPAC Name 
(4E,6S,8S,10E,11aS,14S,14aS,15S,17aR)-15-benzyl-6,8,13,14-tetramethyl-9,11a,14,14a,15,16-hexahydro-2H-[1,3]dioxacyclotridecino[4,5-d]isoindole-2,7,17(6H,8H)-trione
UniProt Name  Source
cytochalasin Z16UniProt
Registry NumbersSources
Reaxys:27722607Reaxys
Citations