DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:43 UTC
Update Date	2025-03-25 00:51:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189290
Frequency	0.5
Structure
Chemical Formula	C₃₂H₅₉N₁₁O₉
Molecular Mass	741.4497
SMILES	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(N)C(C)O)C(=O)O
InChI Key	UIXRIMDKQMORIO-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 carbonyl compounds carboximidamides carboxylic acids glutamine and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines leucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tertiary carboxylic acid amides
Substituents	carboxylic acid short-chain hydroxy acid glutamine or derivatives alpha-amino acid or derivatives alpha peptide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid branched fatty acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide primary carboxylic acid amide fatty acyl carbonyl group heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid carboxylic acid derivative organic oxide arginine or derivatives leucine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organopnictogen compound pyrrolidine proline or derivatives carboximidamide carboxamide group n-acyl-amine monocarboxylic acid or derivatives organic oxygen compound secondary alcohol organic nitrogen compound organooxygen compound

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