DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:07 UTC
Update Date	2025-03-25 00:58:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233551
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₂O₆S
Molecular Mass	324.1355
SMILES	CC(C)CN(CC(O)CN1CCCC1C(=O)O)S(=O)(=O)O
InChI Key	UGPHAADMGMIAOG-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	1,2-aminoalcohols alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine carboxylic acids secondary alcohols sulfuric acid monoamides trialkylamines
Substituents	carbonyl group carboxylic acid amino acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives alcohol organic sulfuric acid or derivatives azacycle n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound sulfuric acid monoamide secondary alcohol hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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