DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:57 UTC
Update Date	2025-03-21 18:30:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081300
Frequency	35.6
Structure
Chemical Formula	C₁₇H₂₅N₇O₂
Molecular Mass	359.207
SMILES	N=C(N)NCCCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
InChI Key	NBUWIRBNURYQKZ-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	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds benzenoids carbonyl compounds carboximidamides carboxylic acids and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives imines indoles monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides pyrroles secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group indole guanidine imine fatty amide alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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