DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:47 UTC
Update Date	2025-03-25 00:56:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221677
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₄N₄O₂₃P₃+
Molecular Mass	851.0821
SMILES	O=C(O)CCC(NC(=O)c1cc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C(O)C2O)cc1)C(=O)O
InChI Key	UHMDLDBLSCBJCB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines lactams monoalkyl phosphates monosaccharides n-acyl-alpha amino acids organic carbonic acids and derivatives organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates pyridine nucleotides pyridinecarboxylic acids and derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carbonyl group pyrimidine ribonucleoside triphosphate lactam carboxylic acid aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organoheterocyclic compound n-acyl-alpha amino acid or derivatives pyridine nucleotide alcohol vinylogous amide carbonic acid derivative azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound hydroxypyridine glutamic acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide pyridine organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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