DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:09:16 UTC
Update Date	2025-03-24 21:03:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01656229
Frequency	0.8
Structure
Chemical Formula	C₄₈H₇₂N₁₂O₉
Molecular Mass	960.5545
SMILES	N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(Cc1ccccc1)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(N)CCCCN)C(=O)O
InChI Key	VNTXBULSXQVGJA-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 amphetamines and derivatives arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines guanidines hydrocarbon derivatives imines lignans, neolignans and related compounds monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid guanidine imine n-acylpyrrolidine alpha-amino acid or derivatives norlignan skeleton carboxylic acid derivative alpha peptide organic oxide arginine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alcohol secondary aliphatic amine polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide secondary amine carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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