DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:01:32 UTC
Update Date	2025-03-24 21:26:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01780831
Frequency	0.7
Structure
Chemical Formula	C₄₈H₇₁N₁₁O₁₁S₂
Molecular Mass	1041.4776
SMILES	CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(CC(C)C)N2CCCC2C(=O)NC(=O)C(N)Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O
InChI Key	NWHWAZIVUNESPT-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 carboxylic acids and derivatives cyclic peptides dicarboximides fatty amides hydrocarbon derivatives lactams monoalkylamines n-alkylpyrrolidines n-unsubstituted carboxylic acid imides organic disulfides organic oxides organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides trialkylamines tyrosine and derivatives
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound amino acid or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine tertiary amine organoheterocyclic compound amphetamine or derivatives proline or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-alkylpyrrolidine tertiary aliphatic amine carboxamide group carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound cyclic alpha peptide organic disulfide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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