DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:16 UTC
Update Date	2025-03-25 00:59:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236187
Frequency	0.5
Structure
Chemical Formula	C₂₇H₄₂N₈O₇S
Molecular Mass	622.2897
SMILES	CSCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N)C(=O)O
InChI Key	DTRYEKQQHADGHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylthioethers fatty amides guanidines hydrocarbon derivatives hydroxy fatty acids imines methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides sulfenyl compounds tertiary carboxylic acid amides thia fatty acids tyrosine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid alpha-amino acid or derivatives alpha peptide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives thioether methionine or derivatives phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide fatty acyl carbonyl group aromatic heteromonocyclic compound guanidine imine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid organosulfur compound carboxylic acid derivative organic oxide tertiary carboxylic acid amide organopnictogen compound pyrrolidine amphetamine or derivatives proline or derivatives carboximidamide carboxamide group monocarboxylic acid or derivatives thia fatty acid phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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