| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:52 UTC |
|---|
| Update Date | 2025-03-25 00:46:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02153175 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H16N2O4S |
|---|
| Molecular Mass | 260.0831 |
|---|
| SMILES | C=CCSCCC(N)=NC(CC(=O)O)C(=O)O |
|---|
| InChI Key | CTDSEPBGKHGMSY-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | allyl sulfur compoundsalpha amino acidsamidinescarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl sulfur compoundamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundcarboximidamideorganic oxygen compoundthioetheraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
