CHEBI:65913 - FR207944

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ChEBI Name FR207944
ChEBI ID CHEBI:65913
Definition A triterpene glycoside with strong antifungal activity against Aspergillus fumigatus and Candida albicans. It is isolated from natural Chaetomium sp.no.217.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C38H62O10
Net Charge 0
Average Mass 678.89290
Monoisotopic Mass 678.43430
InChI InChI=1S/C38H62O10/c1-19(2)20(3)35(7)15-16-37(9)23-11-12-26-34(5,6)31(48-33-29(43)28(42)27(41)25(18-39)47-33)24(46-21(4)40)17-36(26,8)22(23)13-14-38(37,10)30(35)32(44)45/h19-20,24-31,33,39,41-43H,11-18H2,1-10H3,(H,44,45)/t20-,24-,25-,26+,27-,28+,29-,30-,31+,33+,35-,36-,37-,38+/m1/s1
InChIKey VAULMUOCCMYLIA-SQBLQFOUSA-N
SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](C[C@]2(C)C3=C(CC[C@@]2([H])C1(C)C)[C@@]1(C)CC[C@](C)([C@H](C)C(C)C)[C@@H](C(O)=O)[C@]1(C)CC3)OC(C)=O
Metabolite of Species Details
Chaetomium (NCBI:txid5149) of strain 217 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Chaetomium metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing FR207944 (CHEBI:65913) has functional parent β-D-glucose (CHEBI:15903)
FR207944 (CHEBI:65913) has role Chaetomium metabolite (CHEBI:76960)
FR207944 (CHEBI:65913) has role antifungal agent (CHEBI:35718)
FR207944 (CHEBI:65913) has role antimicrobial agent (CHEBI:33281)
FR207944 (CHEBI:65913) is a acetate ester (CHEBI:47622)
FR207944 (CHEBI:65913) is a monocarboxylic acid (CHEBI:25384)
FR207944 (CHEBI:65913) is a monosaccharide derivative (CHEBI:63367)
FR207944 (CHEBI:65913) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(1R,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-8-(β-D-glucopyranosyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid
Citations Waiting for Citations Types Sources
15784979 PubMed citation Europe PMC
15914927 PubMed citation Europe PMC
Last Modified
20 January 2014