CHEBI:90869 - validamycin A(1+)

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ChEBI Name validamycin A(1+)
ChEBI ID CHEBI:90869
Definition An ammonium ion resulting from the protonation of the amino group of validamycin A. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C20H36NO13
Net Charge +1
Average Mass 498.500
Monoisotopic Mass 498.21812
InChI InChI=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
InChIKey JARYYMUOCXVXNK-CSLFJTBJSA-O
SMILES [C@@H]1([C@@H]([C@H]([C@H](C=C1CO)[NH2+][C@@H]2[C@@H]([C@H]([C@@H]([C@H](C2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)O
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor
An EC 2.4.1.* (hexosyltransferase) inhibitor that interferes with the action of alpha,alpha-trehalose phosphorylase (EC 2.4.1.64).
EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
An EC 2.4.1.* (hexosyltransferase) inhibitor that interferes with the action of alpha,alpha-trehalase (EC 2.4.1.28).
antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
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 alpha,alpha-trehalose phosphorylase (configuration-retaining) (EC 2.4.1.231).
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (CHEBI:35274)
validamycin A(1+) (CHEBI:90869) is conjugate acid of validamycin A (CHEBI:29703)
Incoming 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
Synonym Source
validamycin A UniProt
Manual Xref Database
VALIDAMYCIN-A MetaCyc
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Citations Waiting for Citations Types Sources
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Last Modified
28 January 2016