DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:25 UTC
Update Date	2025-03-25 00:51:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186300
Frequency	0.5
Structure
Chemical Formula	C₉H₁₉N₃O₆S
Molecular Mass	297.0995
SMILES	NCCC(NCCC(=O)NCCS(=O)(=O)O)C(=O)O
InChI Key	WZZPJWXYXZYMMB-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 carbonyl compounds carboxylic acids dialkylamines fatty acids and conjugates hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfonic acids secondary carboxylic acid amides sulfonyls
Substituents	aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group carboxylic acid amino acid organosulfonic acid fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine secondary amine carboxamide group beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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