DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:07 UTC
Update Date	2025-03-25 00:52:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02192367
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₅N₃O₅S
Molecular Mass	429.2297
SMILES	CCCCCCC=CCCCCCCC(=O)NC(CSN=O)C(=O)NCC(=O)O
InChI Key	HBGOACDWHHGKDI-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 carbonyl compounds carboxylic acids cysteine and derivatives dipeptides hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines nitrosothiols organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide organosulfur compound alpha peptide nitrosothiol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic s-nitroso compound organic nitroso compound sulfenyl compound alpha-amino acid amide carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound nitrosothiol-group

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