| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:26 UTC |
|---|
| Update Date | 2025-03-21 18:01:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00034741 |
|---|
| Frequency | 103.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H23N7O7 |
|---|
| Molecular Mass | 473.1659 |
|---|
| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(NC(CCC(=O)O)C(=O)O)C(=O)O)cc1)=N2 |
|---|
| InChI Key | MRLIRWMTSRRPOK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | glutamic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespropargyl-type 1,3-dipolar organic compoundspterins and derivativespyrimidonessecondary alkylarylaminestricarboxylic acids and derivativesvinylogous amides |
|---|
| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidiminepyrimidonetricarboxylic acid or derivativespteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundglutamic acid or derivativessecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
