DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:43 UTC
Update Date	2025-03-21 18:33:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097356
Frequency	28.3
Structure
Chemical Formula	C₂₂H₄₀N₈O₇
Molecular Mass	528.302
SMILES	N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(N)CCC(=O)O)C(=O)O
InChI Key	PGKNGZIAXMVFBN-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 arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives imines monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives 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 polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid glutamic acid or derivatives carboximidamide 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 organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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