DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:12 UTC
Update Date	2025-03-21 18:39:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00125127
Frequency	40.3
Structure
Chemical Formula	C₁₆H₂₃N₅O₆
Molecular Mass	381.1648
SMILES	NC(CCC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)O)C(=O)O
InChI Key	GVSQSLUTBOQJQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	oligopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organic oxide imidazole pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound 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 n-acyl-amine secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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