DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:27 UTC
Update Date	2025-03-21 18:03:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00046841
Frequency	71.3
Structure
Chemical Formula	C₁₂H₂₂N₂O₅
Molecular Mass	274.1529
SMILES	O=C(O)C(O)CCNC(CCN1CCCC1)C(=O)O
InChI Key	XDRDQCITFQYGCU-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 alpha hydroxy acids and derivatives amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monosaccharides n-alkylpyrrolidines organic oxides organopnictogen compounds secondary alcohols short-chain hydroxy acids and derivatives trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide fatty acid alpha-amino acid or derivatives saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine tertiary amine organoheterocyclic compound alcohol secondary aliphatic amine azacycle n-alkylpyrrolidine tertiary aliphatic amine hydroxy acid secondary amine amino fatty acid organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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