DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:26 UTC
Update Date	2025-03-25 00:51:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186326
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₈N₆O₆
Molecular Mass	412.207
SMILES	NCCCCC(NC(=O)C1CCCN1C(=O)C1NC(=O)C(CC(N)=O)N1)C(=O)O
InChI Key	UBFNFFGMCFRELO-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 amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines heterocyclic fatty acids hydrocarbon derivatives imidazolidinones lactams medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	imidazolidine primary carboxylic acid amide fatty acyl carbonyl group lactam carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide imidazolidinone organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group amino fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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