DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:50:56 UTC
Update Date	2025-03-24 21:22:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01756376
Frequency	0.7
Structure
Chemical Formula	C₃₅H₅₂N₉O₁₉P₃S
Molecular Mass	1027.2313
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(N)C1=CN(C2OC(COP(=O)(O)O[PH](=O)(=O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1
InChI Key	HSPQXGIHUNMPCT-UHFFFAOYSA-N
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	alpha amino acid amides alpha amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives dihydropyridines enamines fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones
Substituents	amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine carbothioic s-ester saccharide organonitrogen compound alpha-amino acid dihydropyridine organoheterocyclic compound alcohol sulfenyl compound alpha-amino acid amide azacycle thiocarboxylic acid ester heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hybrid glycopeptide hydrocarbon derivative primary aliphatic amine primary amine amine enamine carbonyl group pentose phosphate organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam fatty acyl thioester thiolactone azole n-substituted imidazole thiocarboxylic acid or derivatives tetrahydrofuran carboxamide group beta amino acid or derivatives oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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