EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229669 - 3-aminoavenalumate

ChEBI IDCHEBI:229669
ChEBI Name3-aminoavenalumate
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H10NO3
Net Charge-1
Average Mass204.205
Monoisotopic Mass204.06662
SMILESNc1cc(/C=C/C=C/C(=O)[O-])ccc1O
InChIInChI=1S/C11H11NO3/c12-9-7-8(5-6-10(9)13)3-1-2-4-11(14)15/h1-7,13H,12H2,(H,14,15)/p-1/b3-1+,4-2+
InChIKeyWVBIXHAMNDUEIA-ZPUQHVIOSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-aminoavenalumate (CHEBI:229669) is a aminophenol (CHEBI:28829)
3-aminoavenalumate (CHEBI:229669) is a carboxylic acid anion (CHEBI:29067)
Synonym  Source
(2E,4E)-5-(3-amino-4-hydroxyphenyl)penta-2,4-dienoateSUBMITTER
UniProt Name  Source
3-aminoavenalumateUniProt
Manual XrefsDatabases
CPD-26645MetaCyc
Citations