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CHEBI:68752 - chaetoglobosin Fex

ChEBI IDCHEBI:68752
ChEBI Namechaetoglobosin Fex
Stars
ASCII Namechaetoglobosin Fex
DefinitionA cytochalasan alkaloid found in Chaetomium globosum and Chaetomium brasiliense.
Last Modified6 February 2018
DownloadsMolfile
FormulaC32H38N2O5
Net Charge0
Average Mass530.665
Monoisotopic Mass530.27807
SMILES[H][C@]12[C@H](Cc3cnc4ccccc34)NC(=O)[C@]13C(=O)CC[C@H](O)C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@H](O)C(=C)[C@H]2C
InChIInChI=1S/C32H38N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,19,23,25-26,28,30,33,35,38H,4,8,12-13,15H2,1-3H3,(H,34,39)/b10-7+,18-14+/t17-,19+,23-,25-,26-,28-,30+,32+/m0/s1
InChIKeyUFMHUKPYQLJSOB-ILEFKYORSA-N
Species of MetaboliteComponentSourceComments
Chaetomium brasiliense (ncbitaxon:155871) - CiteXplore (c6150)
Chaetomium globosum (ncbitaxon:38033) - PubMed (20225834)
Chaetomium subaffine (ncbitaxon:1036253) - CiteXplore (c6155)
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 Fex (CHEBI:68752) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin Fex (CHEBI:68752) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin Fex (CHEBI:68752) is a indoles (CHEBI:24828)
chaetoglobosin Fex (CHEBI:68752) is a macrocycle (CHEBI:51026)
chaetoglobosin Fex (CHEBI:68752) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(3S,3aR,4S,6S,6aR,7E,10S,11E,14S,17aR)-6,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylidene-3,3a,4,5,6,6a,9,10,15,16-decahydro-1H-cyclotrideca[d]isoindole-1,13,17(2H,14H)-trione
Registry NumbersSources
Reaxys:6359976Reaxys
Citations