DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:52:22 UTC
Update Date	2025-03-25 01:36:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02460828
Frequency	0.5
Structure
Chemical Formula	C₂₇H₃₇N₉O₂₁P₃+
Molecular Mass	916.1311
SMILES	NC(=O)c1ccc(C(=O)NCCC(=O)NCC(=O)O)[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1
InChI Key	WJLGTSZVIKYLNA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines 2-heteroaryl carboxamides acyl glycines alpha amino acids amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates polyhalopyridines primary amines primary carboxylic acid amides purine ribonucleoside 2',5'-bisphosphates purine ribonucleoside diphosphates purines and purine derivatives pyridine nucleotides pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine 2-heteroaryl carboxamide saccharide purine ribonucleoside diphosphate purine ribonucleoside 2',5'-bisphosphate organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives pyridine nucleotide alcohol vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound n-acylglycine organic pyrophosphate secondary carboxylic acid amide pyridine monoalkyl phosphate hybrid glycopeptide hydrocarbon derivative primary amine amine primary carboxylic acid amide carbonyl group pentose phosphate amino acid polyhalopyridine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound 2-halopyridine organic cation imidolactam azole n-substituted imidazole tetrahydrofuran hydroxypyridine carboxamide group beta amino acid or derivatives oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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