DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:09:12 UTC
Update Date	2025-03-25 01:43:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02500546
Frequency	0.5
Structure
Chemical Formula	C₄₇H₅₉N₁₁O₁₂S₂
Molecular Mass	1033.3786
SMILES	N=C(NC(Cc1ccc(O)cc1)C(=O)O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1
InChI Key	SJKKZIKHCLEPGF-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 acids amidines amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids cyclic peptides fatty amides hydrocarbon derivatives lactams macrolactams monoalkylamines monocarboxylic acids and derivatives n-acylpyrrolidines organic disulfides organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary carboxylic acid amides secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives amidine carboxylic acid derivative macrolactam organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives polypeptide tyrosine or derivatives azacycle carboximidamide carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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