CHEBI:68798 - chaetoglobosin A

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ChEBI Name chaetoglobosin A
ChEBI ID CHEBI:68798
Definition A cytochalasan alkaloid isolated from Chaetomium globosum and Calonectria morganii.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H36N2O5
Net Charge 0
Average Mass 528.649
Monoisotopic Mass 528.26242
InChI InChI=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
InChIKey OUMWCYMRLMEZJH-VOXRAUTJSA-N
SMILES [H][C@@]12O[C@]1(C)[C@@H](C)[C@@]1([H])[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@@]11[C@H]2\C=C\C[C@H](C)\C=C(C)\[C@@H](O)C(=O)\C=C\C1=O
Metabolite of Species Details
Chaetomium subaffine (NCBI:txid1036253) See: PubMed
Chaetomium globosum (NCBI:txid38033) See: PubMed
Calonectria morganii (NCBI:txid40624) See: PubMed
Roles Classification
Biological Role(s): 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.
(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 )
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ChEBI Ontology
Outgoing 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 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 Xrefs Databases
C00011307 KNApSAcK
Chaetoglobosin_A Wikipedia
LMPK11000003 LIPID MAPS
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Registry Numbers Types Sources
50335-03-0 CAS Registry Number ChemIDplus
5787518 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12483566 PubMed citation Europe PMC
19246197 PubMed citation Europe PMC
23214998 PubMed citation Europe PMC
23611317 PubMed citation Europe PMC
436014 PubMed citation Europe PMC
Last Modified
13 July 2021