DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:35:32 UTC
Update Date	2025-03-24 21:42:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01861923
Frequency	0.7
Structure
Chemical Formula	C₃₁H₅₂N₇O₁₅P₃S
Molecular Mass	887.2455
SMILES	CCCC=CC=CC(C)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](=O)(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	NHZHXDUDPXRFAC-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	azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	fatty acyl carbonyl group pentose phosphate amino acid or derivatives fatty amide pentose-5-phosphate imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle secondary carboxylic acid amide phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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