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CHEBI:141055 - validoxylamine B(1+)

ChEBI IDCHEBI:141055
ChEBI Namevalidoxylamine B(1+)
Stars
DefinitionA secondary ammonium ion resulting from the protonation of the amino group of validoxylamine B; major species at pH 7.3.
Last Modified19 August 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC14H26NO9
Net Charge+1
Average Mass352.360
Monoisotopic Mass352.16021
SMILESOCC1=C[C@H]([NH2+][C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H25NO9/c16-2-4-1-6(11(21)13(23)8(4)18)15-7-9(19)5(3-17)10(20)14(24)12(7)22/h1,5-24H,2-3H2/p+1/t5-,6-,7-,8+,9+,10+,11-,12-,13-,14-/m0/s1
InChIKeyOTSKEODGNQKECL-WSRAPPRJSA-O
ChEBI Ontology
Outgoing Relation(s)
validoxylamine B(1+) (CHEBI:141055) is a secondary ammonium ion (CHEBI:137419)
validoxylamine B(1+) (CHEBI:141055) is conjugate acid of validoxylamine B (CHEBI:141057)
Incoming Relation(s)
validoxylamine B (CHEBI:141057) is conjugate base of validoxylamine B(1+) (CHEBI:141055)
IUPAC Name 
(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N-[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]cyclohex-2-en-1-aminium
Citations