DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:20 UTC
Update Date	2025-03-25 00:54:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206556
Frequency	0.5
Structure
Chemical Formula	C₉H₁₆N₂O₇S
Molecular Mass	296.0678
SMILES	O=C(O)C(CCN1CCCC1C(=O)O)NS(=O)(=O)O
InChI Key	QBUNUDHKTSIFNU-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	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids sulfuric acid monoamides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid fatty acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives organic sulfuric acid or derivatives azacycle n-alkylpyrrolidine tertiary aliphatic amine amino fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound sulfuric acid monoamide dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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