DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:00 UTC
Update Date	2025-03-25 00:50:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178542
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₄O₃
Molecular Mass	254.1379
SMILES	CNCCC(=O)NC(Cc1cncn1C)C(=O)O
InChI Key	FTCYPDUADVIKCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylamines heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives secondary aliphatic amine azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary amine carboxamide group beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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