DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:50 UTC
Update Date	2025-03-25 01:00:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02242026
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₁N₅O₅
Molecular Mass	385.2325
SMILES	CC(C)CC(N)C(=O)NC(CCCNC(=N)N1CCCC1C(=O)O)C(=O)O
InChI Key	PPQQRIXRFICCGI-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds branched fatty acids carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives imines leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives leucine or derivatives pyrrolidine carboxylic acid aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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