DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:16:55 UTC
Update Date	2025-03-25 00:38:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02102104
Frequency	0.6
Structure
Chemical Formula	C₂₈H₄₇N₅O₂₁P₄S
Molecular Mass	945.1435
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O
InChI Key	NULVWUSMWHUEBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside polyphosphates
Geometric Descriptor	aromatic heteromonocyclic 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 imidolactams monoalkyl phosphates monosaccharides n-acyl amines organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines pyrimidones secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones
Substituents	fatty acyl carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives pyrimidine ribonucleoside polyphosphate fatty amide monosaccharide pentose-5-phosphate pyrimidone organosulfur compound carboxylic acid derivative pyrimidine carbothioic s-ester saccharide organic oxide organonitrogen compound organopnictogen compound imidolactam fatty acyl thioester thiolactone organoheterocyclic compound alcohol thiocarboxylic acid or derivatives carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran thiocarboxylic acid ester heteroaromatic compound carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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