DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:12 UTC
Update Date	2025-03-25 00:45:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151605
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₃N₅O₄
Molecular Mass	373.175
SMILES	Cn1cncc1CC(NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)O
InChI Key	XLGJSANNMRQTFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives azole n-substituted imidazole n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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