DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:03 UTC
Update Date	2025-03-25 00:50:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180915
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₂O₅
Molecular Mass	258.1216
SMILES	O=C(O)CCC(NC(=O)C1CCCN1)C(=O)CO
InChI Key	WSXQUJJGDAFEDR-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	alcohols and polyols alpha amino acid amides alpha amino acids alpha-hydroxy ketones amino acids amino fatty acids azacyclic compounds carboxylic acids dialkylamines gamma amino acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid gamma amino acid or derivatives monosaccharide fatty acid alpha-amino acid or derivatives alpha-hydroxy ketone carboxylic acid derivative medium-chain hydroxy acid ketone saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid pyrrolidine organoheterocyclic compound proline or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle secondary amine carboxamide group amino fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hybrid glycopeptide hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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