DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:17 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151805
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₃O₅S
Molecular Mass	307.1202
SMILES	NC(CCC(=O)NC(=O)CCC(N)C(O)CS)C(=O)O
InChI Key	QDQOSJQDVGACDW-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acids carbonyl compounds carboxylic acids dicarboximides gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-unsubstituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds secondary alcohols short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives gamma amino acid or derivatives fatty acid organosulfur compound carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid dicarboximide alcohol n-acyl-amine carboxylic acid imide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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