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
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
Term relations
Related from: