DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:47:23 UTC
Update Date	2025-03-24 17:58:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01027859
Frequency	1.4
Structure
Chemical Formula	C₄₅H₈₁N₃O₁₄P₂
Molecular Mass	949.5194
SMILES	CCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(O)CCCCCCCC=CCCCCCCCC
InChI Key	XZSOSLHTQGHDKK-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	azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives lactams monoalkyl phosphates monosaccharides n-acyl amines organic carbonic acids and derivatives organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	fatty acyl carbonyl group lactam aromatic heteromonocyclic compound pentose phosphate fatty amide monosaccharide pentose-5-phosphate pyrimidone carboxylic acid derivative pyrimidine phosphoethanolamine saccharide organic oxide organonitrogen compound organopnictogen compound organoheterocyclic compound alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-acyl-amine 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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