Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-05-16 20:08:41 UTC
Update Date2022-09-01 02:17:58 UTC
Metabolite IDMMDBc0050862
Metabolite Identification
Common Name1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
Description
Structure
Synonyms
ValueSource
1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphoric acidGenerator
Molecular FormulaC12H16NO9P
Average Mass349.2305
Monoisotopic Mass349.056267627
IUPAC Name2-{[(1Z,3R,4R)-2,3,4-trihydroxy-5-(phosphonooxy)pent-1-en-1-yl]amino}benzoic acid
Traditional Name2-{[(1Z,3R,4R)-2,3,4-trihydroxy-5-(phosphonooxy)pent-1-en-1-yl]amino}benzoic acid
CAS Registry NumberNot Available
SMILES
[H]\C(NC1=CC=CC=C1C(O)=O)=C(\O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O
InChI Identifier
InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-5,10-11,13-16H,6H2,(H,17,18)(H2,19,20,21)/b9-5-/t10-,11+/m1/s1
InChI KeyROPHCNATZCNDSR-NVIAFKCQSA-N