| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:20 UTC |
|---|
| Update Date | 2025-03-21 18:41:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00134807 |
|---|
| Frequency | 18.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H22NO11P |
|---|
| Molecular Mass | 387.093 |
|---|
| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)CC1C(O)C(O)COP(=O)(O)O |
|---|
| InChI Key | QNBAYIAKGANBHZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | quinic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary alcohols |
|---|
| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecyclohexanolhydroxy acidcarboxamide groupsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphatequinic acid |
|---|
