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	DMID02172994
Frequency	0.5
Structure
Chemical Formula	C₂₃H₄₅N₇O₅S
Molecular Mass	531.3203
SMILES	CCC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O
InChI Key	XGPUVOAAHJMSIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives branched fatty acids carbonyl compounds carboximidamides carboxylic acids dialkylthioethers guanidines hydrocarbon derivatives imines isoleucine and derivatives leucine and derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide arginine or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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