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CHEBI:61749 - enfumafungin

ChEBI IDCHEBI:61749
ChEBI Nameenfumafungin
Stars
DefinitionA triterpene glycoside and hemiacetal isolated from a fermentation of Hormonema sp. and which specifically inhibits glucan synthesis in fungal cells.
Last Modified22 November 2012
Submittermaharris
DownloadsMolfile
FormulaC38H60O12
Net Charge0
Average Mass708.886
Monoisotopic Mass708.40848
SMILES[H][C@@]12CC[C@@]3([H])C(=CC[C@@]4(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]34C)[C@@]13C[C@@H](OC(C)=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)COC3O
InChIInChI=1S/C38H60O12/c1-18(2)19(3)34(5)13-14-36(7)21-9-10-25-35(6)17-47-33(46)38(25,22(21)11-12-37(36,8)29(34)31(44)45)15-23(48-20(4)40)30(35)50-32-28(43)27(42)26(41)24(16-39)49-32/h11,18-19,21,23-30,32-33,39,41-43,46H,9-10,12-17H2,1-8H3,(H,44,45)/t19-,21+,23-,24-,25+,26-,27+,28-,29-,30+,32+,33?,34-,35-,36-,37+,38+/m1/s1
InChIKeyIAOFPTKYKOAKGZ-CRWQHXLTSA-N
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
enfumafungin (CHEBI:61749) has role antifungal agent (CHEBI:35718)
enfumafungin (CHEBI:61749) is a lactol (CHEBI:38131)
enfumafungin (CHEBI:61749) is a monosaccharide derivative (CHEBI:63367)
enfumafungin (CHEBI:61749) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name 
(1S,2R,3R,4aR,6aS,7R,8R,10aR,10bR,12aS)-3-acetoxy-2-(β-D-glucopyranosyloxy)-13-hydroxy-1,6a,8,10a-tetramethyl-8-[(2R)-3-methylbutan-2-yl]-1,3,4,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-2H-1,4a-(methanooxymethano)chrysene-7-carboxylic acid
Citations