DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:42:35 UTC
Update Date	2025-03-25 01:09:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02298515
Frequency	0.5
Structure
Chemical Formula	C₄₅H₆₀N₁₄O₁₂
Molecular Mass	988.4515
SMILES	N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(=N)O)NC(=O)C(Cc2ccccc2)NC(=O)C(C(=O)N2CCCC2C(=O)NC(=O)CCCNC(=N)N)NC(=O)C(CC(=N)O)NC1=O
InChI Key	YCLJJPNHHDTIPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids azacyclic compounds benzene and substituted derivatives carboximidamides carboximidic acids carboxylic acids and derivatives cyclic peptides dicarboximides gamma amino acids and derivatives guanidines hydrocarbon derivatives imines lactams n-acyl amines n-acylpyrrolidines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group lactam aromatic heteromonocyclic compound gamma amino acid or derivatives guanidine imine n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative carboxylic acid imide, n-unsubstituted organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine organoheterocyclic compound proline or derivatives polypeptide alpha-amino acid amide azacycle carboximidamide carboxamide group n-acyl-amine carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cyclic alpha peptide hydrocarbon derivative benzenoid organic nitrogen compound 1,3-dicarbonyl compound pyrrolidine-2-carboxamide organooxygen compound

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