DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:22 UTC
Update Date	2025-03-25 00:53:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199795
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₁N₇O₅
Molecular Mass	413.2387
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC(C(=O)NC(CCC(N)=O)C(=O)O)C1
InChI Key	MSNSSFJZOFEVRS-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	glutamine and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines heterocyclic fatty acids hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpiperidines organic oxides organopnictogen compounds piperidinecarboxamides primary carboxylic acid amides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid guanidine imine fatty amide fatty acid organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound piperidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid piperidinecarboxamide carboximidamide 3-piperidinecarboxamide carboxamide group secondary carboxylic acid amide n-acyl-piperidine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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