DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:26 UTC
Update Date	2025-03-25 00:51:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188626
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₇N₇O₆
Molecular Mass	437.2023
SMILES	CC(N)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)O
InChI Key	DPIYWCLNOMPCIZ-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	alanine and derivatives alpha amino acid amides alpha amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative organic oxide imidazole tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives pyrrolidine organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hybrid peptide alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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