DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:58 UTC
Update Date	2025-03-25 00:54:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208048
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₃N₅O₄
Molecular Mass	395.2533
SMILES	CC(C)CC(N=C(O)C(CC(C)C)NC(=O)C(N)Cc1cncn1C)C(=O)O
InChI Key	KKIGVEAYELQHEO-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	peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboximidic acids carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl carboximidic acid carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide imidazole leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-substituted imidazole alpha-amino acid amide azacycle heteroaromatic compound organic 1,3-dipolar compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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