DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:59 UTC
Update Date	2025-03-25 00:45:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151106
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₁N₇O₅
Molecular Mass	449.2387
SMILES	N=C(N)NCCCC(NC(=O)C(N)CCC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O
InChI Key	VJJNDQQACNDCIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives arginine and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids glutamic acid and derivatives guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid guanidine imine fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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