OntologieschebiclassesCHEBI:90869   
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validamycin A(1+)
http://purl.obolibrary.org/obo/CHEBI_90869

An ammonium ion resulting from the protonation of the amino group of validamycin A. The major species at pH 7.3.

Also appears inslmgo
Exact Synonyms
(1S,4R,5S,6S)-N-[(1S,2S,3R,4R,5R)-4-(beta-D-glucopyranosyloxy)-2,3-dihydroxy-5-(hydroxymethyl)cyclohexyl]-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-aminium
Related Synonyms
validamycin A
class Information
charge

+1

formula

C20H36NO13

has_obo_namespace

chebi_ontology

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

in_subset

3_STAR

mass

498.500

monoisotopicmass

498.21812

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

class Relations