DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:03 UTC
Update Date	2025-03-25 00:58:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02233380
Frequency	0.5
Structure
Chemical Formula	C₃₀H₄₆N₂O₁₀S
Molecular Mass	626.2873
SMILES	CCCCCC=CCC=CC=CC=CC(SCC(NC(CCC(=O)O)C(=O)NCC(=O)O)C(=O)O)C(O)CCCC(=O)O
InChI Key	SZYWMUUZWNZINH-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 glutamic acid and derivatives hydrocarbon derivatives n-acyl amines organic oxides organopnictogen compounds secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetracarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid fatty amide organosulfur compound alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alcohol secondary aliphatic amine sulfenyl compound alpha-amino acid amide dialkylthioether tetracarboxylic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound thioether cysteine or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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