DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:00 UTC
Update Date	2025-03-25 00:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205819
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₁N₃O₅
Molecular Mass	263.1481
SMILES	NCCCCC(NC(O)C(N)CC(=O)O)C(=O)O
InChI Key	MDUYRZKBMUKJQM-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 acyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hemiaminals hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines organic oxides organopnictogen compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty acid alpha-amino acid or derivatives medium-chain hydroxy acid hemiaminal organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid alkanolamine secondary aliphatic amine secondary amine amino fatty acid beta amino acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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