DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:40 UTC
Update Date	2025-03-21 17:59:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00019040
Frequency	216.3
Structure
Chemical Formula	C₉H₁₈N₂O₄
Molecular Mass	218.1267
SMILES	NC(CCCNCCCC(=O)O)C(=O)O
InChI Key	CXCXSGCKENKIJL-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 acyclic compounds
Alternative Parents	alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds
Substituents	aliphatic acyclic compound secondary aliphatic amine carbonyl group carboxylic acid amino acid gamma amino acid or derivatives fatty acid alpha-amino acid or derivatives secondary amine organic oxide organic oxygen compound organonitrogen compound alpha-amino acid dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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