| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:50:00 UTC |
|---|
| Update Date | 2025-03-21 18:02:31 UTC |
|---|
| HMDB ID | HMDB0240650 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00038552 |
|---|
| Name | Ectoine |
|---|
| Frequency | 90.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10N2O2 |
|---|
| Molecular Mass | 142.0742 |
|---|
| SMILES | CC1=NC(C(=O)O)CCN1 |
|---|
| InChI Key | WQXNXVUDBPYKBA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | amidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativeshydropyrimidinesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | 1,4,5,6-tetrahydropyrimidinecarbonyl groupcarboxylic acidazacycleorganic 1,3-dipolar compoundamidinecarboximidamidepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhydropyrimidineorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compound |
|---|
