DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:14 UTC
Update Date	2025-03-21 18:33:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00093789
Frequency	36.5
Structure
Chemical Formula	C₆H₁₂N₂O₄
Molecular Mass	176.0797
SMILES	NCC(=O)NCCC(O)C(=O)O
InChI Key	LSDGQDLIIKJJQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides 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 gamma amino acid or derivatives alpha-hydroxy acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid alcohol alpha-amino acid amide hydroxy acid carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid glycopeptide secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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