DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:50 UTC
Update Date	2025-03-21 18:30:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081028
Frequency	55.3
Structure
Chemical Formula	C₂₂H₃₃N₇O₄
Molecular Mass	459.2594
SMILES	CC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	UTSMXMABBPFVJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
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 guanidines heteroaromatic compounds hydrocarbon derivatives imines indoles monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides pyrroles secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid indole guanidine imine fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide aromatic heteropolycyclic compound arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives heteroaromatic compound indole or derivatives carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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