DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:37 UTC
Update Date	2025-03-25 00:59:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239192
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃N₅O₆
Molecular Mass	369.1648
SMILES	Cn1cncc1CC(NC(=O)CCN)C(=O)NC(CCC(=O)O)C(=O)O
InChI Key	XWFXKAJDBRNSFA-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 beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides fatty amides glutamic acid and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide 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 alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound glutamic acid or derivatives carboxamide group beta amino acid or derivatives n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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