DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:34 UTC
Update Date	2025-03-21 18:32:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00089729
Frequency	31.4
Structure
Chemical Formula	C₁₂H₂₀N₂O₆
Molecular Mass	288.1321
SMILES	O=C(O)CCNC(CCN1CCCC1C(=O)O)C(=O)O
InChI Key	QCZNZGMCIITCSJ-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	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines fatty acyls hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids trialkylamines tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid amino acid tricarboxylic acid or derivatives organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives secondary aliphatic amine azacycle n-alkylpyrrolidine tertiary aliphatic amine secondary amine amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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