DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:13 UTC
Update Date	2025-03-21 18:05:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055578
Frequency	57.6
Structure
Chemical Formula	C₁₃H₂₃N₅O₄
Molecular Mass	313.175
SMILES	NCCCCC(NC(=O)C1CCC(=O)N1)C(=O)NCC(N)=O
InChI Key	LPMTWEVIQRBPGX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives lactams monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl 2-pyrrolidone carbonyl group lactam fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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