DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:51 UTC
Update Date	2025-03-25 00:47:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164370
Frequency	0.5
Structure
Chemical Formula	C₈H₁₄N₂O₇
Molecular Mass	250.0801
SMILES	CC(NC(=O)C(N)C(O)C(O)C(=O)O)C(=O)O
InChI Key	MVIHJPIVEDUUBI-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,2-diols alanine and derivatives alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid alpha-hydroxy acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives beta-hydroxy acid saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid 1,2-diol n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives hydroxy acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02164370