DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:59 UTC
Update Date	2025-03-21 17:59:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00019742
Frequency	206.3
Structure
Chemical Formula	C₁₂H₂₀N₂O₆
Molecular Mass	288.1321
SMILES	O=C(O)CCCNC(CCN1CCC1C(=O)O)C(=O)O
InChI Key	QZRJCBOVAALFFY-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds azetidinecarboxylic acids azetidines carbonyl compounds carboxylic acids dialkylamines fatty acyls hydrocarbon derivatives organic oxides organopnictogen compounds trialkylamines tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid amino acid gamma amino acid or derivatives azetidinecarboxylic acid tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound tertiary amine organoheterocyclic compound secondary aliphatic amine azacycle tertiary aliphatic amine secondary amine amino fatty acid azetidine organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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