DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:47 UTC
Update Date	2025-03-21 18:33:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00095078
Frequency	29.2
Structure
Chemical Formula	C₉H₁₆N₂O₄
Molecular Mass	216.111
SMILES	O=C(O)C(O)CCNC(=O)C1CCCN1
InChI Key	BMVAEIKOONXVSA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines gamma amino acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine organoheterocyclic compound proline or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle hydroxy acid secondary amine carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hybrid glycopeptide secondary alcohol hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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