DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:20:47 UTC
Update Date	2025-03-25 01:48:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02527098
Frequency	0.5
Structure
Chemical Formula	C₃₂H₅₀N₈O₁₉S₃
Molecular Mass	946.2354
SMILES	NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NC(CSC(C(=O)NCC(=O)O)C(O)CCCC(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChI Key	NBYFXOIIIOXXBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides dialkylthioethers glutamine and derivatives hexacarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds peptides secondary alcohols secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hexacarboxylic acid or derivatives n-acyl-alpha amino acid or derivatives alcohol polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide dialkyldisulfide organic oxygen compound thioether organic disulfide cysteine or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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