DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:31 UTC
Update Date	2025-03-25 01:01:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248293
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₆N₈O₆
Molecular Mass	496.2758
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(=O)CCC(N)C(=O)O
InChI Key	XWMSDBHWAXGDCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dicarboximides glutamine and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acylpyrrolidines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds peptides proline and derivatives pyrrolidinecarboxamides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid guanidine imine n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide carboxylic acid imide, n-unsubstituted organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine organoheterocyclic compound proline or derivatives polypeptide alpha-amino acid amide azacycle carboximidamide carboxamide group n-acyl-amine carboxylic acid imide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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