DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:21 UTC
Update Date	2025-03-25 00:53:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199774
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₁N₇O₆
Molecular Mass	441.2336
SMILES	N=C(N)NCCCC(N)C(=O)NCC(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)O
InChI Key	DBLZWZFTHXSWHR-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	oligopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid guanidine imine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organic oxide arginine or derivatives pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

Showing information for DMID02199774