DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:57 UTC
Update Date	2025-03-25 00:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205722
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₆N₄O₅
Molecular Mass	318.1903
SMILES	NCCCC(=O)NC(CCCNCCC(N)C(=O)O)C(=O)O
InChI Key	PGXXMOWPNRIFNU-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	alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid gamma amino acid or derivatives fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine n-acyl-alpha-amino acid secondary amine carboxamide group n-acyl-amine 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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