DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:06 UTC
Update Date	2025-03-25 00:50:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181025
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₃O₁₁P
Molecular Mass	423.0679
SMILES	O=C(O)CC(Nc1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)n1)C(=O)O
InChI Key	SKGUJHZEHKRAHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine deoxyribonucleotides
Direct Parent	pyrimidine 2'-deoxyribonucleoside monophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates pyrimidones secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine pyrimidine 2'-deoxyribonucleoside monophosphate saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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