DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:23 UTC
Update Date	2025-03-25 00:45:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149700
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆N₂O₇
Molecular Mass	288.0958
SMILES	O=C(O)CNC(=O)C1CCC(=O)N1CCC(O)C(=O)O
InChI Key	NGKGQOPJDJMTFK-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids lactams monosaccharides n-alkylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tertiary carboxylic acid amides
Substituents	fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid short-chain hydroxy acid heterocyclic fatty acid alpha-hydroxy acid monosaccharide fatty acid alpha peptide saccharide organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine pyrrolidone organoheterocyclic compound proline or derivatives alcohol alpha-amino acid amide azacycle n-alkylpyrrolidine hydroxy acid carboxamide group n-acylglycine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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