DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:39 UTC
Update Date	2025-03-25 01:01:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250909
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₃N₃O₆
Molecular Mass	329.1587
SMILES	O=C(O)CCCNC(=O)CCNC(=O)CCN1CCC1C(=O)O
InChI Key	KWTRQLKRAGTLPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds azetidinecarboxylic acids azetidines beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives heterocyclic fatty acids hydrocarbon derivatives organic oxides organopnictogen compounds secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid gamma amino acid or derivatives fatty acid azetidinecarboxylic acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound tertiary amine organoheterocyclic compound azacycle tertiary aliphatic amine carboxamide group beta amino acid or derivatives azetidine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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