DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 04:57:29 UTC
Update Date	2025-03-24 14:06:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00764438
Frequency	2.0
Structure
Chemical Formula	C₃₅H₄₉N₉O₁₇P₂S
Molecular Mass	961.2442
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(N)c1cn(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)ccc1=O
InChI Key	DGKLGJWYPDXQOY-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 cyclic ketones fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams methylpyridines monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones vinylogous amides
Substituents	amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine carbothioic s-ester saccharide purine ribonucleoside diphosphate organonitrogen compound alpha-amino acid organoheterocyclic compound alcohol vinylogous amide sulfenyl compound alpha-amino acid amide azacycle thiocarboxylic acid ester heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide pyridine monoalkyl phosphate hybrid glycopeptide hydrocarbon derivative primary aliphatic amine primary amine amine carbonyl group pentose phosphate cyclic ketone 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 hydroxypyridine methylpyridine 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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