DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:02 UTC
Update Date	2025-03-25 00:52:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02192197
Frequency	0.5
Structure
Chemical Formula	C₃₁H₅₆N₄O₇
Molecular Mass	596.4149
SMILES	CCCCCCCCC=CCCCCCCCC(=O)NC(CCC(=O)NCCCCC(N)C(=O)O)C(=O)NCC(=O)O
InChI Key	DUZPEACLNMPDJG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides glutamine and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid alpha-amino acid amide carboxamide group amino fatty acid n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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