DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:31 UTC
Update Date	2025-03-25 00:57:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223387
Frequency	0.5
Structure
Chemical Formula	C₂₉H₄₂N₁₀O₇
Molecular Mass	642.3238
SMILES	NC(N)=NCCCC(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CO)NC(=O)C(N)Cc1ccccc1)C(=O)O
InChI Key	BIPIVIVSNFNCDR-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 amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary alcohols proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives tertiary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound guanidine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative alpha peptide propargyl-type 1,3-dipolar organic compound organic oxide imidazole tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound amphetamine or derivatives azole n-acyl-alpha amino acid or derivatives proline or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound organic 1,3-dipolar compound carboximidamide carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide serine or derivatives organooxygen compound

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