DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:14:18 UTC
Update Date	2025-03-24 22:45:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01238362
Frequency	1.1
Structure
Chemical Formula	C₁₈H₃₄N₃O₃₃P₇
Molecular Mass	1036.9238
SMILES	CC(=O)NC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
InChI Key	HWJDIBUAHXWUSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound organoheterocyclic compound acetamide 1,2-diol alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group organic pyrophosphate oxacycle secondary carboxylic acid amide pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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