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CHEBI:68729 - 19-O-acetylchaetoglobosin A

ChEBI IDCHEBI:68729
ChEBI Name19-O-acetylchaetoglobosin A
Stars
DefinitionA cytochalasan alkaloid that is the acetyl derivative of chaetoglobosin A. It has been isolated from Chaetomium globosum and Chaetomium brasiliense.
Last Modified31 October 2013
DownloadsMolfile
FormulaC34H38N2O6
Net Charge0
Average Mass570.686
Monoisotopic Mass570.27299
SMILES[H][C@]12[C@H](Cc3cnc4ccccc34)NC(=O)[C@]13C(=O)/C=C/C(=O)[C@H](OC(C)=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3C1O[C@]1(C)[C@H]2C
InChIInChI=1S/C34H38N2O6/c1-18-9-8-11-24-31-33(5,42-31)20(3)29-26(16-22-17-35-25-12-7-6-10-23(22)25)36-32(40)34(24,29)28(39)14-13-27(38)30(19(2)15-18)41-21(4)37/h6-8,10-15,17-18,20,24,26,29-31,35H,9,16H2,1-5H3,(H,36,40)/b11-8+,14-13+,19-15+/t18-,20-,24-,26-,29-,30+,31?,33+,34+/m0/s1
InChIKeyAZLAYOMQTNEYFJ-JUDRFADKSA-N
Species of MetaboliteComponentSourceComments
Calonectria morganii (ncbitaxon:40624) - PubMed (12483566)
Chaetomium globosum (ncbitaxon:38033) - PubMed (12483566)
Chaetomium brasiliense (ncbitaxon:155871) - CiteXplore (c6150)
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)
19-O-acetylchaetoglobosin A (CHEBI:68729) has role Chaetomium metabolite (CHEBI:76960)
19-O-acetylchaetoglobosin A (CHEBI:68729) is a cytochalasan alkaloid (CHEBI:75946)
19-O-acetylchaetoglobosin A (CHEBI:68729) is a epoxide (CHEBI:32955)
19-O-acetylchaetoglobosin A (CHEBI:68729) is a indoles (CHEBI:24828)
19-O-acetylchaetoglobosin A (CHEBI:68729) is a macrocycle (CHEBI:51026)
IUPAC Name 
(1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16bR)-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-8,11,12-trioxo-4,7,8,11,12,13,14,14a,15,15a,16a,16b-dodecahydro-3H-cyclotrideca[d]oxireno[f]isoindol-7-yl acetate
Manual XrefsDatabases
10235106ChemSpider
Citations