DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:02 UTC
Update Date	2025-03-21 18:36:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00112832
Frequency	23.5
Structure
Chemical Formula	C₁₀H₁₆N₄O₃
Molecular Mass	240.1222
SMILES	NC(Cc1c[nH]cn1)C(=O)NCCCC(=O)O
InChI Key	PKJTWWAGCMIWRO-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 acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole alpha-amino acid amide azacycle heteroaromatic compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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