EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:16840 - 4-CDP-2-C-methyl-D-erythritol 2-phosphate
| Formula | C14H26N3O17P3 |
| Net Charge | 0 |
| Average Mass | 601.288 |
| Monoisotopic Mass | 601.04751 |
| SMILES | C[C@@](CO)(OP(=O)(O)O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O |
| InChI | InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1 |
| InChIKey | HTJXTKBIUVFUAR-XHIBXCGHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Biological Role: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-CDP-2-C-methyl-D-erythritol 2-phosphate (CHEBI:16840) has role Escherichia coli metabolite (CHEBI:76971) |
| 4-CDP-2-C-methyl-D-erythritol 2-phosphate (CHEBI:16840) is a alditol 4-phosphate (CHEBI:22294) |
| 4-CDP-2-C-methyl-D-erythritol 2-phosphate (CHEBI:16840) is a nucleotide-alditol (CHEBI:35240) |
| 4-CDP-2-C-methyl-D-erythritol 2-phosphate (CHEBI:16840) is a tetritol phosphate (CHEBI:26980) |
| 4-CDP-2-C-methyl-D-erythritol 2-phosphate (CHEBI:16840) is conjugate acid of 4-CDP-2-C-methyl-D-erythritol 2-phosphate(4−) (CHEBI:57919) |
| Incoming Relation(s) |
| 4-CDP-2-C-methyl-D-erythritol 2-phosphate(4−) (CHEBI:57919) is conjugate base of 4-CDP-2-C-methyl-D-erythritol 2-phosphate (CHEBI:16840) |
| IUPAC Name |
|---|
| 4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol 2-(dihydrogen phosphate) |
| Synonym | Source |
|---|---|
| 2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol | KEGG COMPOUND |