DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:05 UTC
Update Date	2025-03-21 18:03:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00043539
Frequency	111.9
Structure
Chemical Formula	C₉H₁₆N₄O₅
Molecular Mass	260.1121
SMILES	N=C(N)NCCCC(=O)NC(CC(=O)O)C(=O)O
InChI Key	PGHBNRBUIQXCEA-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	aspartic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates gamma amino acids and derivatives guanidines hydrocarbon derivatives imines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives guanidine imine fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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