DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:22 UTC
Update Date	2025-03-25 00:50:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181645
Frequency	0.5
Structure
Chemical Formula	C₇H₁₅NO₅S
Molecular Mass	225.0671
SMILES	O=C(O)CCCNCCCS(=O)(=O)O
InChI Key	PWAWQAKPQDJLMM-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amino acids carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfonic acids straight chain fatty acids sulfonyls
Substituents	fatty acyl aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group carboxylic acid amino acid gamma amino acid or derivatives organosulfonic acid fatty acid organosulfur compound organic oxide organonitrogen compound organopnictogen compound secondary aliphatic amine straight chain fatty acid secondary amine monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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