DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:53 UTC
Update Date	2025-03-25 00:51:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185034
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₆N₈O₄
Molecular Mass	382.2077
SMILES	N=C(N)NCCCC(NC(=O)CCN)C(=O)NC(Cc1c[nH]cn1)C(=O)O
InChI Key	NCMIQJIWVMCGPJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds beta amino acids and derivatives carbonyl compounds carboximidamides carboxylic acids dipeptides guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound guanidine imine fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide imidazole arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboximidamide carboxamide group n-acyl-amine beta amino acid or derivatives n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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