DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:22 UTC
Update Date	2025-03-21 18:06:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060698
Frequency	74.3
Structure
Chemical Formula	C₁₈H₂₉N₇O₆
Molecular Mass	439.2179
SMILES	NC(N)=NCCCC(NC(=O)C1CCCN1C(=O)CNC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	HYCZILIHQATHPU-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 azacyclic compounds carbonyl compounds carboximidamides carboxylic acids guanidines heterocyclic fatty acids hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid guanidine n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide tertiary carboxylic acid amide 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 organic 1,3-dipolar compound carboximidamide carboxamide group 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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