DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:45:31 UTC
Update Date	2025-03-25 01:10:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02305373
Frequency	0.5
Structure
Chemical Formula	C₄₀H₆₄N₁₄O₁₃S₃
Molecular Mass	1044.3939
SMILES	N=C(O)CC1NC(=O)C2CSSCC(C(=O)N3CCCC3C(=O)NC(CCCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)SC(CCCCC(N)=O)C2NC1=O
InChI Key	GRIVGJHDKOGEJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	1,4-diazepanes alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboximidic acids carboxylic acids and derivatives cyclic peptides hydrocarbon derivatives lactams monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic carbonic acids and derivatives organic disulfides organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides thiolactones
Substituents	primary carboxylic acid amide fatty acyl carboximidic acid carbonyl group lactam 1,4-diazepane fatty amide n-acylpyrrolidine diazepane alpha-amino acid or derivatives carboxylic acid derivative aliphatic heteropolycyclic compound organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine thiolactone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide organic disulfide hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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