DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:56 UTC
Update Date	2025-03-21 18:38:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122223
Frequency	21.2
Structure
Chemical Formula	C₁₁H₁₆N₂O₆
Molecular Mass	272.1008
SMILES	O=C(O)C1C(O)CN(C(=O)C2CCCN2)C1C(=O)O
InChI Key	QCZMEEJJBMGATN-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids pyrrolidinecarboxamides secondary alcohols tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid n-acylpyrrolidine alpha-amino acid or derivatives beta-hydroxy acid organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid hydroxy acid secondary amine carboxamide group alpha-dipeptide pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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