DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:26 UTC
Update Date	2025-03-25 00:53:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197594
Frequency	0.5
Structure
Chemical Formula	C₂₁H₄₁N₅O₆S
Molecular Mass	491.2778
SMILES	CCC(C)C(NC(=O)C(N)C(C)O)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)O
InChI Key	PROMKIQQMHGHMF-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 branched fatty acids carbonyl compounds carboxylic acids dialkylthioethers hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid isoleucine or derivatives n-acyl-alpha amino acid or derivatives alcohol polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether 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 secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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