DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:42 UTC
Update Date	2025-03-21 18:40:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00131121
Frequency	19.3
Structure
Chemical Formula	C₉H₁₄N₂O₇
Molecular Mass	262.0801
SMILES	O=C(O)CCC(NCC(=O)O)C(=O)NCC(=O)O
InChI Key	TXCJMYLYTDRSOF-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 amino acids carbonyl compounds carboxylic acids dialkylamines dipeptides glutamic acid and derivatives hydrocarbon derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide tricarboxylic acid or derivatives alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine alpha-amino acid amide glutamic acid or derivatives secondary amine carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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