DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:41 UTC
Update Date	2025-03-25 00:45:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150399
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₆N₄O₈
Molecular Mass	460.2533
SMILES	CCC(C)C(NC(=O)C(N)CC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)O)C(C)O
InChI Key	SQHBRWQVPGOTQL-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 aspartic acid and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids isoleucine and derivatives leucine and derivatives methyl-branched fatty acids monoalkylamines 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
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid isoleucine or derivatives n-acyl-alpha amino acid or derivatives alcohol polypeptide methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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