DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:43 UTC
Update Date	2025-03-25 00:49:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173235
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀N₂O₄S
Molecular Mass	264.1144
SMILES	CCC(C)C(N)C(=O)NC(CS)C(O)C(=O)O
InChI Key	BHVXFYVQUDXHET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives beta amino acids and derivatives branched fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid alpha-hydroxy acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid isoleucine or derivatives alcohol alpha-amino acid amide hydroxy acid carboxamide group branched fatty acid n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound hybrid glycopeptide secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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