DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:13 UTC
Update Date	2025-03-25 00:57:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224925
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₃N₃O₃
Molecular Mass	245.1739
SMILES	NCCCCNCCC(=O)NCCCC(=O)O
InChI Key	YICQXCSAJSKTLE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylamines gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds secondary carboxylic acid amides straight chain fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid gamma amino acid or derivatives fatty acid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound secondary aliphatic amine straight chain fatty acid secondary amine carboxamide group beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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