DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:38 UTC
Update Date	2025-03-21 17:58:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00012308
Frequency	441.3
Structure
Chemical Formula	C₁₆H₂₉N₇O₅
Molecular Mass	399.223
SMILES	N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)C(N)CCC(N)=O)C(=O)O
InChI Key	XUMFMAVDHQDATI-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 fatty amides guanidines heterocyclic fatty acids hydrocarbon derivatives imines 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	primary carboxylic acid amide 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 carboximidamide carboxamide group 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

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