DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:24:21 UTC
Update Date	2025-03-24 22:03:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01977129
Frequency	0.6
Structure
Chemical Formula	C₂₉H₄₆N₇O₁₇P₃S
Molecular Mass	889.1884
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC1C(CO)OC(n2cnc3c(N)ncnc32)C1O
InChI Key	JAYVUQUVCHMUCK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds beta amino acids and derivatives 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 organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines 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 imidazopyrimidine carbothioic s-ester saccharide organonitrogen compound 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 pentose phosphate fatty amide organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam fatty acyl thioester thiolactone azole n-substituted imidazole ribonucleoside 3'-phosphate 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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