DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:37 UTC
Update Date	2025-03-25 00:49:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173019
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₅N₇O₈S
Molecular Mass	627.305
SMILES	CCC(C)C(NC(=O)C(CCSC)NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC(C)C)C(=O)O
InChI Key	RQHKLXJGIWIONM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles isoleucine and derivatives leucine and derivatives methionine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide imidazole leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether heteroaromatic compound carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound thioether methionine or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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