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CHEBI:90869 - validamycin A(1+)

ChEBI IDCHEBI:90869
ChEBI Namevalidamycin A(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the amino group of validamycin A. The major species at pH 7.3.
Last Modified28 January 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H36NO13
Net Charge+1
Average Mass498.502
Monoisotopic Mass498.21812
SMILESOCC1=C[C@H]([NH2+][C@H]2C[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/p+1/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
InChIKeyJARYYMUOCXVXNK-CSLFJTBJSA-O
Roles Classification
Biological Roles:
EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor  An EC 2.4.1.* (hexosyltransferase) inhibitor that interferes with the action of α,α-trehalose phosphorylase (configuration-retaining) (EC 2.4.1.231).
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor  An EC 2.4.1.* (hexosyltransferase) inhibitor that interferes with the action of α,α-trehalase (EC 2.4.1.28).
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor  An EC 2.4.1.* (hexosyltransferase) inhibitor that interferes with the action of α,α-trehalose phosphorylase (EC 2.4.1.64).
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
validamycin A(1+) (CHEBI:90869) has role antifungal agrochemical (CHEBI:86328)
validamycin A(1+) (CHEBI:90869) has role antimicrobial agent (CHEBI:33281)
validamycin A(1+) (CHEBI:90869) has role bacterial metabolite (CHEBI:76969)
validamycin A(1+) (CHEBI:90869) has role EC 2.4.1.231 [α,α-trehalose phosphorylase (configuration-retaining)] inhibitor (CHEBI:83757)
validamycin A(1+) (CHEBI:90869) has role EC 2.4.1.64 (α,α-trehalose phosphorylase) inhibitor (CHEBI:83760)
validamycin A(1+) (CHEBI:90869) has role EC 3.2.1.28 (α,α-trehalase) inhibitor (CHEBI:83762)
validamycin A(1+) (CHEBI:90869) is a ammonium ion derivative (CHEBI:35274)
validamycin A(1+) (CHEBI:90869) is conjugate acid of validamycin A (CHEBI:29703)
Incoming Relation(s)
validamycin A (CHEBI:29703) is conjugate base of validamycin A(1+) (CHEBI:90869)
IUPAC Name 
(1S,4R,5S,6S)-N-[(1S,2S,3R,4R,5R)-4-(β-D-glucopyranosyloxy)-2,3-dihydroxy-5-(hydroxymethyl)cyclohexyl]-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-aminium
UniProt Name  Source
validamycin AUniProt
Manual XrefsDatabases
VALIDAMYCIN-AMetaCyc
Citations