DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:10 UTC
Update Date	2025-03-25 00:53:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199338
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₉N₃O₆
Molecular Mass	301.1274
SMILES	NC(=O)CCC(NCC(=O)O)C(=O)N1CCCC1C(=O)O
InChI Key	MAUMTEHKCNVUIY-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidine carboxylic acids tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group alpha-dipeptide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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