DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:01 UTC
Update Date	2025-03-25 00:45:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151163
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇N₇O₅
Molecular Mass	445.2074
SMILES	N=C(N)NCCCC(NC(=O)C(CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	KRRCQLPWAVYPEF-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 asparagine and derivatives azacyclic compounds benzenoids carbonyl compounds carboximidamides carboxylic acids guanidines heteroaromatic compounds hydrocarbon derivatives imines indoles monocarboxylic acids and derivatives 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 carboxylic acid 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 asparagine or derivatives 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 monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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