DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:31 UTC
Update Date	2025-03-25 00:57:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225560
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₂O₅
Molecular Mass	272.1372
SMILES	CC(C)C(C(=O)O)N1CCCC1C(=O)NCC(=O)O
InChI Key	LRVODPIBPWMHET-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 amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides heterocyclic fatty acids hydrocarbon derivatives methyl-branched fatty acids n-alkylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides trialkylamines valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid fatty acid alpha peptide organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives methyl-branched fatty acid alpha-amino acid amide azacycle n-alkylpyrrolidine valine or derivatives tertiary aliphatic amine carboxamide group branched fatty acid n-acylglycine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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