Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:29:01 UTC
Update Date2022-08-31 21:49:41 UTC
Metabolite IDMMDBc0032961
Metabolite Identification
Common Name4-amino-4-deoxychorismic acid
Description4-Amino-4-deoxychorismic acid is a metabolite of chorismate in the p-aminobenzoate biosynthesis pathway. This pathway leads to the tetrahydrofolate biosynthesis pathway. Tetrahydrofolate (vitamin B9) is the parent structure of the large family of folates coenzymes. Folates are essential cofactors that facilitate the transfer of one-carbon units from donor molecules into important biosynthetic pathways leading to methionine, purine, and pyrimidine biosynthesis. [Biocyc PWY-6543 and PWY-6614]
Structure
Synonyms
ValueSource
ADCChEBI
4-Amino-4-deoxychorismateGenerator
4-amino-4-Deoxychorismic acidGenerator
Molecular FormulaC10H11NO5
Average Mass225.198
Monoisotopic Mass225.063722467
IUPAC Name(3R,4R)-4-amino-3-[(1-carboxyeth-1-en-1-yl)oxy]cyclohexa-1,5-diene-1-carboxylic acid
Traditional Name4-amino-4-deoxychorismic acid
CAS Registry NumberNot Available
SMILES
N[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O
InChI Identifier
InChI=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)/t7-,8-/m1/s1
InChI KeyOIUJHGOLFKDBSU-HTQZYQBOSA-N