| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:01:07 UTC |
|---|
| Update Date | 2025-03-24 20:08:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01349875 |
|---|
| Frequency | 1.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C29H45N4O21P3S |
|---|
| Molecular Mass | 910.151 |
|---|
| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2c(C(=O)O)cc(=O)[nH]c2=O)C(O)C1O |
|---|
| InChI Key | NPWYKKVAXWFPKX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | pyrimidine nucleotides |
|---|
| Subclass | pyrimidine ribonucleotides |
|---|
| Direct Parent | pyrimidine ribonucleoside triphosphates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acyl thioestersheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidinecarboxylic acidspyrimidonessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofuransthioestersthiolactonesvinylogous amides |
|---|
| Substituents | pyrimidine ribonucleoside triphosphatelactamcarboxylic acidmonosaccharidepentose-5-phosphatecarbothioic s-estersaccharideorganonitrogen compoundorganoheterocyclic compoundalcoholvinylogous amidesulfenyl compoundazacyclethiocarboxylic acid esterheteroaromatic compoundsecondary carboxylic acid amidemonoalkyl phosphatehydrocarbon derivativepyrimidine-6-carboxylic acid or derivativesfatty acylcarbonyl grouparomatic heteromonocyclic compoundpentose phosphatefatty amidepyrimidoneorganosulfur compoundcarboxylic acid derivativepyrimidineorganic oxideorganopnictogen compoundfatty acyl thioesterpyrimidine-6-carboxylic acidthiolactonethiocarboxylic acid or derivativescarbonic acid derivativetetrahydrofurancarboxamide groupn-acyl-aminebeta amino acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
