DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:50 UTC
Update Date	2025-03-25 00:46:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153079
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₇N₃O₅
Molecular Mass	259.1168
SMILES	NC(=O)CC(NC(=O)C1CCC(O)CN1)C(=O)O
InChI Key	NXCPJIPSHDPSQQ-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	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids dialkylamines fatty amides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds piperidinecarboxamides piperidines primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid or derivatives amino acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives piperidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid piperidinecarboxamide secondary amine carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound 2-piperidinecarboxamide organooxygen compound amine

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