DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:36 UTC
Update Date	2025-03-25 00:48:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170672
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₃O₅
Molecular Mass	289.1638
SMILES	CC(=O)NC(CCNC(CCCCN)C(=O)O)C(=O)O
InChI Key	YHJSISIYQDWTPB-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid acetamide secondary aliphatic amine n-acyl-alpha-amino acid secondary amine carboxamide group amino fatty acid secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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