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CHEBI:111505 - validoxylamine A(1+)

ChEBI IDCHEBI:111505
ChEBI Namevalidoxylamine A(1+)
Stars
DefinitionAn organic cation resulting from the protonation of the amino group of validoxylamine A; major species at pH 7.3.
Last Modified17 May 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H26NO8
Net Charge+1
Average Mass336.361
Monoisotopic Mass336.16529
SMILESOCC1=C[C@H]([NH2+][C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyYCJYNBLLJHFIIW-MBABXGOBSA-O
ChEBI Ontology
Outgoing Relation(s)
validoxylamine A(1+) (CHEBI:111505) is a ammonium ion derivative (CHEBI:35274)
validoxylamine A(1+) (CHEBI:111505) is a organic cation (CHEBI:25697)
validoxylamine A(1+) (CHEBI:111505) is conjugate acid of validoxylamine A (CHEBI:131941)
Incoming Relation(s)
validoxylamine A (CHEBI:131941) is conjugate base of validoxylamine A(1+) (CHEBI:111505)
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
UniProt Name  Source
validoxylamine AUniProt
Manual XrefsDatabases
CPD-9669MetaCyc
Citations