DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:30 UTC
Update Date	2025-03-25 00:53:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197754
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₁N₅O₅
Molecular Mass	397.2325
SMILES	CCC(C)C(N)C(=O)NC(Cc1cncn1CCCCC(N)C(=O)O)C(=O)O
InChI Key	MYPZNWVEUHHZQL-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids azacyclic compounds branched fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives imidazoles isoleucine and derivatives medium-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid isoleucine or derivatives organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group amino fatty acid branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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