CHEBI:68733 - chaetoglobosin U

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ChEBI Name chaetoglobosin U
ChEBI ID CHEBI:68733
Definition A cytochalasan alkaloid found in Chaetomium globosum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H36N2O5
Net Charge 0
Average Mass 528.63860
Monoisotopic Mass 528.26242
InChI InChI=1S/C32H36N2O5/c1-15-8-7-10-21-29-31(4,39-29)17(3)26-23(12-18-14-33-22-11-6-5-9-19(18)22)34-30(38)32(21,26)24(35)13-20-25(15)16(2)27(36)28(20)37/h5-7,9-11,14-15,17,20-21,23,25-26,29,33,36H,8,12-13H2,1-4H3,(H,34,38)/b10-7+/t15-,17-,20+,21-,23-,25-,26-,29-,31+,32+/m0/s1
InChIKey MRENMDHAGXAXRK-QFHPAQOTSA-N
SMILES C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)[C@@H]3[C@@H](CC2=O)C(=O)C(O)=C3C)[C@@H]2O[C@]12C
Metabolite of Species Details
Chaetomium globosum (NCBI:txid38033) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chaetoglobosin U (CHEBI:68733) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin U (CHEBI:68733) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin U (CHEBI:68733) is a indoles (CHEBI:24828)
chaetoglobosin U (CHEBI:68733) is a macrocycle (CHEBI:51026)
IUPAC Name
(3aR,5aR,8S,8aR,9S,9aR,10aS,10bR,11E,14S,14aR)-2-hydroxy-8-(1H-indol-3-ylmethyl)-1,9,9a,14-tetramethyl-3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodecahydro-3H-cyclopenta[7,8]cyclodeca[1,2-d]oxireno[f]isoindole-3,5,6-trione
Manual Xref Database
9744792 ChemSpider
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Registry Number Type Source
18561638 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16499339 PubMed citation Europe PMC
Last Modified
28 October 2013