CHEBI:193524 - N-(4-aminobutyl)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enimidic acid

ChEBI IDCHEBI:193524
ChEBI NameN-(4-aminobutyl)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enimidic acid
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FormulaC13H18N2O6S
Net Charge0
Average Mass330.362
Monoisotopic Mass330.08856
SMILESNCCCC/N=C(O)/C=C/c1ccc(O)c(OS(=O)(=O)O)c1
InChIInChI=1S/C13H18N2O6S/c14-7-1-2-8-15-13(17)6-4-10-3-5-11(16)12(9-10)21-22(18,19)20/h3-6,9,16H,1-2,7-8,14H2,(H,15,17)(H,18,19,20)/b6-4+
InChIKeyLJYOEYSCGNZHMC-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
N-(4-aminobutyl)-3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enimidic acid (CHEBI:193524) is a aryl sulfate (CHEBI:37919)