| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:08:19 UTC |
|---|
| Update Date | 2025-03-25 00:56:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02220602 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16NO16P3 |
|---|
| Molecular Mass | 510.9682 |
|---|
| SMILES | O=C(O)c1cc(=O)ccn1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O |
|---|
| InChI Key | HNYRODWYKYFANO-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 heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diols2-halopyridinesazacyclic compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridine-2-carboxylic acidssecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatecyclic ketonecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridinephosphoric acid estermonoalkyl phosphatepyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
|---|
