DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:53 UTC
Update Date	2025-03-25 00:51:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185042
Frequency	0.5
Structure
Chemical Formula	C₁₇H₃₁N₇O₇
Molecular Mass	445.2285
SMILES	N=C(N)NCCCC(N)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CO)C(=O)O
InChI Key	IAWMNOJLKAFCDM-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 arginine and derivatives azacyclic compounds beta hydroxy acids and derivatives 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 peptides primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid guanidine imine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide beta-hydroxy acid organic oxide arginine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide serine or derivatives organooxygen compound

Showing information for DMID02185042