DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:28 UTC
Update Date	2025-03-25 00:53:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200058
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₀ClN₇O₅
Molecular Mass	531.1997
SMILES	N=C(NCCCCNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)NC(=N)Nc1ccc(Cl)cc1
InChI Key	UFBPQYNBXGYKDA-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	glutamic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-arylbiguanides alpha amino acids amino acids aryl chlorides benzoyl derivatives carbonyl compounds carboximidamides carboxylic acids chlorobenzenes dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives imines n-acyl-alpha amino acids organic oxides organochlorides organopnictogen compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid guanidine imine organochloride benzoyl organohalogen compound benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-arylbiguanide n-acyl-alpha amino acid or derivatives aryl chloride chlorobenzene n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives carboximidamide secondary amine carboxamide group secondary aliphatic/aromatic amine aryl halide aromatic homomonocyclic compound secondary carboxylic acid amide arylbiguanide organic oxygen compound dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound biguanide halobenzene amine organooxygen compound

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