DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:10 UTC
Update Date	2025-03-25 00:56:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217919
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇NO₉
Molecular Mass	319.0903
SMILES	O=C(O)CCC(NC(=O)C1=CC(O)C(O)C(CO)O1)C(=O)O
InChI Key	VIIXXEKETYXKHB-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	glutamic acid and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acyls heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

Showing information for DMID02217919