DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:52 UTC
Update Date	2025-03-25 00:59:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239777
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₂N₆O₄
Molecular Mass	432.2485
SMILES	NC(N)=NCCCC(NC(=O)C1CCCCN1C(=O)C(N)Cc1ccccc1)C(=O)O
InChI Key	WEEICKNOHCIXLO-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	oligopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpiperidines organic oxides organopnictogen compounds piperidinecarboxamides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound guanidine alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound piperidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid piperidinecarboxamide organic 1,3-dipolar compound carboximidamide carboxamide group secondary carboxylic acid amide n-acyl-piperidine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine alpha-oligopeptide organic nitrogen compound 2-piperidinecarboxamide organooxygen compound

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