DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:39:51 UTC
Update Date	2025-03-25 01:31:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02431762
Frequency	0.5
Structure
Chemical Formula	C₄₁H₆₀N₁₂O₁₀
Molecular Mass	880.4555
SMILES	N=C(N)NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O
InChI Key	VXLNEXRHJDDDEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imines medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid 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 polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide fatty acyl carbonyl group aromatic heteromonocyclic compound heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid fatty acid carboxylic acid derivative organic oxide tertiary carboxylic acid amide organopnictogen compound medium-chain fatty acid pyrrolidine amphetamine or derivatives proline or derivatives carboximidamide carboxamide group amino fatty acid monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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