DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:00 UTC
Update Date	2025-03-25 00:54:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208122
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₇N₇O₉
Molecular Mass	531.2653
SMILES	CC(C)CC(NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	VOPQRMCKYFNOLE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives aspartic acid and derivatives carbonyl compounds carboximidamides carboxylic acids glutamic acid and derivatives guanidines hydrocarbon derivatives imines leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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