DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:00 UTC
Update Date	2025-03-25 00:49:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173904
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₀N₂O₇S
Molecular Mass	442.1774
SMILES	CCCCCC=CC=CC=CC(SCC(NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChI Key	DLSNREKMYGRKAX-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dialkylthioethers dipeptides hydrocarbon derivatives organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid amino acid tricarboxylic acid or derivatives organosulfur compound alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine sulfenyl compound alpha-amino acid amide dialkylthioether secondary amine carboxamide group n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound thioether cysteine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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