DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:22 UTC
Update Date	2025-03-21 18:29:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00077469
Frequency	37.9
Structure
Chemical Formula	C₁₂H₁₈N₄O₆
Molecular Mass	314.1226
SMILES	NC(=O)CCC(NC(=O)C1CCC(=O)N1)C(=O)NCC(=O)O
InChI Key	WEBDTKNIWSSJDV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids glutamine and derivatives hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl amines 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 carboxylic acid glutamine or derivatives 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-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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