DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:11 UTC
Update Date	2025-03-21 18:29:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00079463
Frequency	36.7
Structure
Chemical Formula	C₇H₁₂N₄O₅
Molecular Mass	232.0808
SMILES	N=C(N)NC(CC(=O)O)C(=O)NCC(=O)O
InChI Key	BYGITXLFDASKGR-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives dipeptides fatty acids and conjugates guanidines hydrocarbon derivatives imines n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide fatty acid alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboximidamide carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

Showing information for DMID00079463