DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:19:14 UTC
Update Date	2025-03-25 01:48:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02523696
Frequency	0.5
Structure
Chemical Formula	C₃₁H₅₅N₇O₁₇P₄S
Molecular Mass	953.2326
SMILES	CCCC=CC=CC(=O)SCCNC(O)CCNC(C)C(O)C(C)(C)CO[PH](=O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	YDOJCBFTEDCCCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carbothioic s-esters carboxylic acids and derivatives dialkylamines fatty acyl thioesters hemiaminals heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans thioesters thiolactones
Substituents	carbonyl group pentose phosphate amino acid or derivatives imidazopyrimidine organosulfur compound carboxylic acid derivative hemiaminal pyrimidine carbothioic s-ester organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam fatty acyl thioester thiolactone organophosphonic acid derivative organoheterocyclic compound alkanolamine azole n-substituted imidazole alcohol secondary aliphatic amine thiocarboxylic acid or derivatives sulfenyl compound azacycle tetrahydrofuran thiocarboxylic acid ester heteroaromatic compound secondary amine organic pyrophosphate oxacycle phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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