| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:13 UTC |
|---|
| Update Date | 2025-03-25 00:50:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02183534 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N3O11P |
|---|
| Molecular Mass | 407.0366 |
|---|
| SMILES | O=C(O)c1cc2c(=O)[nH]c(=O)n(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1 |
|---|
| InChI Key | SDRBFWPVRAAKQV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | pentose phosphates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidinecarboxylic acidspyrimidonespyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativespyrrolo[2,3-d]pyrimidinessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | lactamcarboxylic acidpentose phosphatepentose-5-phosphatepyrimidonecarboxylic acid derivativepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
|---|
