DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:14 UTC
Update Date	2025-03-25 00:49:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02172138
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₂O₆
Molecular Mass	300.1321
SMILES	CN1C2CCC1C(C(=O)NC(CC(=O)O)C(=O)O)C(O)C2
InChI Key	UDOJESLAAMVOIY-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	aspartic acid and derivatives
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids cyclic alcohols and derivatives dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organopnictogen compounds piperidinecarboxamides piperidines secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives trialkylamines tropane alkaloids
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid fatty acid aliphatic heteropolycyclic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine piperidine tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine piperidinecarboxamide tertiary aliphatic amine 3-piperidinecarboxamide cyclic alcohol carboxamide group secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound tropane alkaloid amine organooxygen compound

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