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CHEBI:35181 - 4-amino-4-deoxychorismate(2−)

ChEBI IDCHEBI:35181
ChEBI Name4-amino-4-deoxychorismate(2−)
Stars
ASCII Name4-amino-4-deoxychorismate(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 4-amino-4-deoxychorismic acid.
Secondary ChEBI IDsCHEBI:11956, CHEBI:35180
Last Modified21 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H9NO5
Net Charge-2
Average Mass223.184
Monoisotopic Mass223.04917
SMILESC=C(O[C@@H]1C=C(C(=O)[O-])C=C[C@H]1N)C(=O)[O-]
InChIInChI=1S/C10H11NO5/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m1/s1
InChIKeyOIUJHGOLFKDBSU-HTQZYQBOSA-L
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
4-amino-4-deoxychorismate(2−) (CHEBI:35181) has functional parent chorismate(2−) (CHEBI:29748)
4-amino-4-deoxychorismate(2−) (CHEBI:35181) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4-amino-4-deoxychorismate(2−) (CHEBI:35181) is a dicarboxylic acid dianion (CHEBI:28965)
4-amino-4-deoxychorismate(2−) (CHEBI:35181) is conjugate base of 4-amino-4-deoxychorismate(1−) (CHEBI:58406)
Incoming Relation(s)
4-amino-4-deoxychorismate(1−) (CHEBI:58406) is conjugate acid of 4-amino-4-deoxychorismate(2−) (CHEBI:35181)
IUPAC Name 
(3R,4R)-4-amino-3-[(1-carboxylatoethenyl)oxy]cyclohexa-1,5-diene-1-carboxylate
Synonyms  Source
4-Amino-4-deoxychorismateKEGG COMPOUND
ADCKEGG COMPOUND
Manual XrefsDatabases
C11355KEGG COMPOUND
4-AMINO-4-DEOXYCHORISMATEMetaCyc
Registry NumbersSources
Reaxys:21082541Reaxys