DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:43 UTC
Update Date	2025-03-25 01:01:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248746
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₃N₅O₃
Molecular Mass	273.1801
SMILES	N=C(NCCCCC(N)C(=O)O)NC(=O)CCCN
InChI Key	ICANJBKQVDEVTR-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino fatty acids carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid carboximidamide amino fatty acid n-acyl-amine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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