DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:42:10 UTC
Update Date	2025-03-25 01:32:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02437266
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₈N₂O₃₁P₆
Molecular Mass	929.9102
SMILES	O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)OC2C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C2OP(=O)(O)O)C(O)C1O
InChI Key	OKMOHXSXJVAKPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols azacyclic compounds carboxylic acids dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives inositol phosphates lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates pyrimidinecarboxylic acids pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam carboxylic acid aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone inositol phosphate carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound pyrimidine-6-carboxylic acid organoheterocyclic compound 1,2-diol alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound cyclitol or derivatives oxacycle dialkyl phosphate pyrimidine ribonucleoside monophosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound pyrimidine-6-carboxylic acid or derivatives organic phosphoric acid derivative alkyl phosphate organooxygen compound

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