DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:01 UTC
Update Date	2025-03-25 00:59:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240128
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₀N₄O₄
Molecular Mass	354.2267
SMILES	NC(CCCCNC(=O)CCCCC1NC2CC(=O)NC1C2)C(=O)O
InChI Key	BKPMMSPKQDUFOE-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	1,4-diazepanes alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids delta lactams dialkylamines heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds piperidinones pyrrolidines secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid 1,4-diazepane amino acid heterocyclic fatty acid fatty amide fatty acid diazepane alpha-amino acid or derivatives aliphatic heteropolycyclic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound piperidinone medium-chain fatty acid pyrrolidine piperidine organoheterocyclic compound secondary aliphatic amine azacycle secondary amine carboxamide group amino fatty acid n-acyl-amine beta amino acid or derivatives delta-lactam secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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