DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:45 UTC
Update Date	2025-03-21 18:41:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135777
Frequency	18.5
Structure
Chemical Formula	C₁₅H₃₀N₆O₅
Molecular Mass	374.2278
SMILES	CC(C)C(N)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O
InChI Key	MNSSBIHFEUUXNW-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 guanidines hydrocarbon derivatives hydroxy fatty acids imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid guanidine imine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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