Terminology Service for NFDI4Health
JSON

validoxylamine A

Go to external page http://purl.obolibrary.org/obo/CHEBI_131941

An amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group.

Term info

Label

validoxylamine A

Synonyms
  • (1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol [ IUPAC ]

charge

0

formula

C14H25NO8

has obo namespace

chebi_ontology

has related synonym

(+)-validoxylamine A

id

CHEBI:131941

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/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1

inchikey

YCJYNBLLJHFIIW-MBABXGOBSA-N

mass

335.351

monoisotopicmass

335.15802

smiles

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