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CHEBI:49197 - 2-amino-2-deoxyisochorismic acid

ChEBI IDCHEBI:49197
ChEBI Name2-amino-2-deoxyisochorismic acid
Stars
Last Modified9 December 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H11NO5
Net Charge0
Average Mass225.200
Monoisotopic Mass225.06372
SMILESC=C(O[C@H]1C=CC=C(C(=O)O)[C@@H]1N)C(=O)O
InChIInChI=1S/C10H11NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKeyOKLGKGPAZUNROU-YUMQZZPRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-amino-2-deoxyisochorismic acid (CHEBI:49197) is a dicarboxylic acid (CHEBI:35692)
2-amino-2-deoxyisochorismic acid (CHEBI:49197) is conjugate acid of 2-azaniumyl-2-deoxyisochorismate (CHEBI:58792)
Incoming Relation(s)
2-azaniumyl-2-deoxyisochorismate (CHEBI:58792) is conjugate base of 2-amino-2-deoxyisochorismic acid (CHEBI:49197)
IUPAC Name 
(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
Synonyms  Source
(2S)-2-Amino-4-deoxychorismateKEGG COMPOUND
(5S,6S)-6-amino-5-[(1-carboxyvinyl)oxy]cyclohexa-1,3-diene-1-carboxylic acidIUPAC
ADICChEBI
Manual XrefsDatabases
C18054KEGG COMPOUND
Registry NumbersSources
Beilstein:5908196Beilstein