DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:49:09 UTC
Update Date	2025-03-25 00:25:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01321179
Frequency	1.0
Structure
Chemical Formula	C₅₀H₇₃N₁₅O₁₁
Molecular Mass	1059.5614
SMILES	N=C(N)NCCCC(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(=O)C(=O)N1CCCC1C(CO)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	FTNCFEGFLBXNTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	oligopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	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 dialkylamines dicarboximides fatty amides guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds 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 carboxylic acid imide, n-unsubstituted organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid 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 organic oxide arginine or derivatives tertiary carboxylic acid amide organopnictogen compound dicarboximide pyrrolidine primary alcohol amphetamine or derivatives proline or derivatives carboximidamide secondary amine carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid alpha-oligopeptide organic nitrogen compound organooxygen compound

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