| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:28 UTC |
|---|
| Update Date | 2025-03-25 00:52:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193139 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H41N4O12PS |
|---|
| Molecular Mass | 676.2179 |
|---|
| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(C)(C)COP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
|---|
| InChI Key | OXOJPPCSZSOYAO-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-diolsazacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesdialkyl phosphatesfatty acyl thioestersheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidonessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofuransthioestersthiolactonesvinylogous amides |
|---|
| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatemonosaccharidepentose-5-phosphatepyrimidoneorganosulfur compoundcarboxylic acid derivativepyrimidinecarbothioic s-estersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundfatty acyl thioesterthiolactoneorganoheterocyclic compound1,2-diolalcoholvinylogous amidethiocarboxylic acid or derivativescarbonic acid derivativesulfenyl compoundazacycletetrahydrofuranthiocarboxylic acid esterheteroaromatic compoundcarboxamide groupbeta amino acid or derivativesoxacyclesecondary carboxylic acid amidedialkyl phosphatepyrimidine ribonucleoside monophosphateorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
