DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:32:58 UTC
Update Date	2025-03-24 22:07:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01997574
Frequency	0.6
Structure
Chemical Formula	C₄₄H₆₉N₁₅O₁₂
Molecular Mass	999.525
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(=O)C(=O)NC(CO)C(CO)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	IXIZPEAXWHAFJG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols 1,3-aminoalcohols alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboximides fatty amides guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-alkylpyrrolidines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives alpha-amino acid or derivatives alpha peptide carboxylic acid imide, n-unsubstituted organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide 1,3-aminoalcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid 1,2-aminoalcohol tertiary aliphatic amine n-substituted-alpha-amino acid carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide amine fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid guanidine imine fatty amide n-acylpyrrolidine carboxylic acid derivative organic oxide arginine or derivatives tertiary carboxylic acid amide organopnictogen compound dicarboximide pyrrolidine primary alcohol tertiary amine amphetamine or derivatives proline or derivatives n-alkylpyrrolidine carboximidamide carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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