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CHEBI:68738 - chaetoglobosin T

ChEBI IDCHEBI:68738
ChEBI Namechaetoglobosin T
Stars
DefinitionA cytochalasan alkaloid found in Chaetomium globosum.
Last Modified28 October 2013
DownloadsMolfile
FormulaC32H38N2O3
Net Charge0
Average Mass498.667
Monoisotopic Mass498.28824
SMILES[H][C@]12[C@H](Cc3cnc4ccccc34)NC(=O)[C@]13C(=O)/C=C/C[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3C=C(C)[C@H]2C
InChIInChI=1S/C32H38N2O3/c1-19-9-7-10-24-16-20(2)22(4)30-27(17-23-18-33-26-12-6-5-11-25(23)26)34-31(37)32(24,30)29(36)14-8-13-28(35)21(3)15-19/h5-8,10-12,14-16,18-19,22,24,27-28,30,33,35H,9,13,17H2,1-4H3,(H,34,37)/b10-7+,14-8+,21-15+/t19-,22+,24-,27-,28-,30-,32+/m0/s1
InChIKeyKJNZESBAHPOZTI-DYGSJVQXSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (15497948)
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
chaetoglobosin T (CHEBI:68738) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin T (CHEBI:68738) has role antineoplastic agent (CHEBI:35610)
chaetoglobosin T (CHEBI:68738) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin T (CHEBI:68738) is a indoles (CHEBI:24828)
chaetoglobosin T (CHEBI:68738) is a macrocycle (CHEBI:51026)
IUPAC Name 
(3S,3aR,4S,6aS,7E,10S,11E,13S,15E,17aS)-13-hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione
Manual XrefsDatabases
9640983ChemSpider
Registry NumbersSources
Reaxys:10504327Reaxys
Citations