| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:23 UTC |
|---|
| Update Date | 2025-03-25 00:59:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238681 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17N3O12P2 |
|---|
| Molecular Mass | 445.0287 |
|---|
| SMILES | O=C(O)CNc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1 |
|---|
| InChI Key | LSBKHNCEQLQPBZ-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 | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphateamino acid or derivativesamino acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundsecondary amineorganic pyrophosphatesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
|---|
