CHEBI:87838 - iso-precytochalasin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name iso-precytochalasin
ChEBI ID CHEBI:87838
Definition A cytochalasan alkaloid found in Aspergillus clavatus.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C28H33NO4
Net Charge 0
Average Mass 447.567
Monoisotopic Mass 447.24096
InChI InChI=1S/C28H33NO4/c1-17-9-8-12-22-15-19(3)20(4)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)33-24(30)14-13-18(2)26(17)31/h5-8,10-13,15,17,20,22-23,25H,9,14,16H2,1-4H3,(H,29,32)/b12-8+,18-13+/t17-,20+,22-,23-,25-,28+/m0/s1
InChIKey WVTWBOYGCFLJLV-JDQBXGEPSA-N
SMILES C=1[C@H]2[C@@]3(C(N[C@H]([C@@]3([C@@H](C1C)C)[H])CC4=CC=CC=C4)=O)OC(=O)CC=C(C(=O)[C@H](CC=C2)C)C
Metabolite of Species Details
Aspergillus clavatus (NCBI:txidtxid5057) See: PubMed
Roles Classification
Biological Role(s): 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.
(via cytochalasan alkaloid )
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing iso-precytochalasin (CHEBI:87838) has role Aspergillus metabolite (CHEBI:76956)
iso-precytochalasin (CHEBI:87838) is a γ-lactam (CHEBI:74222)
iso-precytochalasin (CHEBI:87838) is a cyclic ketone (CHEBI:3992)
iso-precytochalasin (CHEBI:87838) is a cytochalasan alkaloid (CHEBI:75946)
iso-precytochalasin (CHEBI:87838) is a enone (CHEBI:51689)
iso-precytochalasin (CHEBI:87838) is a macrolide (CHEBI:25106)
iso-precytochalasin (CHEBI:87838) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
(4E,7S,9E,10aS,13S,13aS,14S,16aR)-14-benzyl-5,7,12,13-tetramethyl-8,10a,13,13a,14,15-hexahydro-2H-oxacyclododecino[2,3-d]isoindole-2,6,16(3H,7H)-trione
Synonyms Sources
iso-precytochalasin UniProt
isoprecytochalasin ChEBI
Registry Number Type Source
27722606 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24838010 PubMed citation SUBMITTER
Last Modified
27 October 2016