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CHEBI:68798 - chaetoglobosin A

Default Structure
ChEBI IDCHEBI:68798
ChEBI Namechaetoglobosin A
Stars
DefinitionA cytochalasan alkaloid isolated from Chaetomium globosum and Calonectria morganii.
Last Modified13 July 2021
DownloadsMolfile
FormulaC32H36N2O5
Net Charge0
Average Mass528.649
Monoisotopic Mass528.26242
SMILES[H][C@]12[C@H](Cc3cnc4ccccc34)NC(=O)[C@]13C(=O)/C=C/C(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@]1([H])O[C@]1(C)[C@H]2C
InChIInChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1
InChIKeyOUMWCYMRLMEZJH-VOXRAUTJSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Calonectria morganii (ncbitaxon:40624) - PubMed (12483566)
Chaetomium globosum (ncbitaxon:38033) - PubMed (19246197)
Chaetomium subaffine (ncbitaxon:1036253) - PubMed (436014)
Roles Classification
Biological Roles:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
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)
chaetoglobosin A (CHEBI:68798) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin A (CHEBI:68798) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin A (CHEBI:68798) is a epoxide (CHEBI:32955)
chaetoglobosin A (CHEBI:68798) is a indoles (CHEBI:24828)
chaetoglobosin A (CHEBI:68798) is a macrocycle (CHEBI:51026)
chaetoglobosin A (CHEBI:68798) is a secondary α-hydroxy ketone (CHEBI:2468)
Incoming Relation(s)
chaetoglobosin P (CHEBI:172345) has functional parent chaetoglobosin A (CHEBI:68798)
IUPAC Name 
(1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16bR)-7-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13H)-trione
Manual XrefsDatabases
C00011307KNApSAcK
Chaetoglobosin_AWikipedia
LMPK11000003LIPID MAPS
Registry NumbersSources
Reaxys:5787518Reaxys
CAS:50335-03-0ChemIDplus
Citations