Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:18:01 UTC |
---|
Update Date | 2025-03-21 18:35:24 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00105470 |
---|
Frequency | 25.6 |
---|
Structure | |
---|
Chemical Formula | C7H10O7 |
---|
Molecular Mass | 206.0427 |
---|
SMILES | O=C(O)CC(O)(CC(=O)CO)C(=O)O |
---|
InChI Key | BZRUVOMNODAPRH-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organic acids and derivatives |
---|
Class | keto acids and derivatives |
---|
Subclass | medium-chain keto acids and derivatives |
---|
Direct Parent | medium-chain keto acids and derivatives |
---|
Geometric Descriptor | aliphatic acyclic compounds |
---|
Alternative Parents | alpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta-hydroxy ketonesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidestertiary alcohols |
---|
Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketonetertiary alcoholorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compoundmedium-chain keto acid |
---|