| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:16 UTC |
|---|
| Update Date | 2025-03-25 00:50:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181433 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16N3O11P |
|---|
| Molecular Mass | 373.0522 |
|---|
| SMILES | O=C(O)CNC(=C[N+](=O)[O-])NC1OC(COP(=O)(O)O)C(O)C1O |
|---|
| InChI Key | MIQXEKOCWSKKGM-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 | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalpha amino acidsamino acidsc-nitro compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidpentose phosphateamino acid or derivativesamino acidallyl-type 1,3-dipolar organic compoundpentose-5-phosphatealpha-amino acid or derivativescarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumorganoheterocyclic compound1,2-diolalcoholsecondary aliphatic aminetetrahydrofuranorganic 1,3-dipolar compoundsecondary amineoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamineorganic hyponitrite |
|---|
