Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:46:52 UTC
Update Date2022-08-31 18:24:00 UTC
Metabolite IDMMDBc0031731
Metabolite Identification
Common Name5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
DescriptionA 1-(phosphoribosyl)imidazole having the phospho group at the 5'-position and a carboxyamino group at the 5-position on the imidazole ring
Structure
SynonymsNot Available
Molecular FormulaC9H14N3O9P
Average Mass339.1959
Monoisotopic Mass339.046765573
IUPAC Name{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}carbamic acid
Traditional Name3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-ylcarbamic acid
CAS Registry NumberNot Available
SMILES
[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC=C2NC(O)=O)[C@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)/t4-,6-,7-,8-/m1/s1
InChI KeyJHLXDWGVSYMXPL-XVFCMESISA-N