DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:41:43 UTC
Update Date	2025-03-25 01:09:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02296509
Frequency	0.5
Structure
Chemical Formula	C₄₈H₇₇N₁₅O₁₂
Molecular Mass	1055.5876
SMILES	CCC(C)C(NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N)C(=O)O
InChI Key	LKZSBQJOSSXFIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amino fatty acids amphetamines and derivatives arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty amides guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines medium-chain fatty acids medium-chain hydroxy acids and derivatives methyl-branched fatty acids monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives alpha-amino acid or derivatives medium-chain hydroxy acid alpha peptide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine 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 dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide amine fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid carboxylic acid derivative organic oxide arginine or derivatives tertiary carboxylic acid amide organopnictogen compound medium-chain fatty acid pyrrolidine primary alcohol amphetamine or derivatives proline or derivatives carboximidamide secondary amine carboxamide group amino fatty acid phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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