DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:57 UTC
Update Date	2025-03-25 00:54:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208001
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₆N₄O₃
Molecular Mass	310.2005
SMILES	CC(C)CC1NC(=O)C2CNC(=O)C(CCCCN)N2C1=O
InChI Key	CZYBBGMYZVROGD-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	cyclic peptides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	2,5-dioxopiperazines alpha amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives dipeptides hydrocarbon derivatives lactams monoalkylamines n-alkylpiperazines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carbonyl group lactam alpha-amino acid or derivatives 2,5-dioxopiperazine aliphatic heteropolycyclic compound organic oxide dioxopiperazine piperazine tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azacycle n-alkylpiperazine carboxamide group beta amino acid or derivatives alpha-dipeptide secondary carboxylic acid amide organic oxygen compound cyclic alpha peptide 1,4-diazinane hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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