DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:34 UTC
Update Date	2025-03-25 00:56:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216501
Frequency	0.5
Structure
Chemical Formula	C₂₁H₄₁N₇O₆
Molecular Mass	487.3118
SMILES	CCC(C)C(NC(=O)C(N)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)O)C(C)C
InChI Key	ONHANYYKIFBNOV-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 carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives hydroxy fatty acids imines isoleucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid guanidine imine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid isoleucine or derivatives n-acyl-alpha amino acid or derivatives alcohol polypeptide methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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