Terminology Service for NFDI4Health

validoxylamine A(1+)

Go to external page http://purl.obolibrary.org/obo/CHEBI_111505


An organic cation resulting from the protonation of the amino group of validoxylamine A; major species at pH 7.3.

Term info

Label

validoxylamine A(1+)

Synonyms
  • (1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N-[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]cyclohex-2-en-1-aminium
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N-[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]cyclohex-2-en-1-aminium [ IUPAC ]

charge

+1

formula

C14H26NO8

has obo namespace

chebi_ontology

has related synonym

validoxylamine A

id

CHEBI:111505

inchi

InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/p+1/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1

inchikey

YCJYNBLLJHFIIW-MBABXGOBSA-O

mass

336.359

monoisotopicmass

336.16529

smiles

C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)[NH2+][C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O