DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:36:06 UTC
Update Date	2025-03-25 01:29:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02422857
Frequency	0.5
Structure
Chemical Formula	C₃₂H₅₄N₇O₁₅P₃S
Molecular Mass	901.2611
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O[PH](C)(C)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	PJTOXKYKVGAASC-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	beta amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds carbonyl compounds carbothioic s-esters carboxylic acids and derivatives fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organophosphorus compounds organopnictogen compounds oxacyclic compounds phosphonic acid esters primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones
Substituents	monosaccharide imidazopyrimidine carbothioic s-ester phosphonic acid ester saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound alcohol sulfenyl compound azacycle thiocarboxylic acid ester heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine fatty acyl carbonyl group fatty amide organosulfur compound 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 n-acyl-amine 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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