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CHEBI:18098 - CMP-N-glycoloyl-β-neuraminic acid
| Formula | C20H31N4O17P |
| Net Charge | 0 |
| Average Mass | 630.453 |
| Monoisotopic Mass | 630.14218 |
| SMILES | [H][C@@]1([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO |
| InChI | InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1 |
| InChIKey | HOEWKBQADMRCLO-UIUGZIMDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) has role mouse metabolite (CHEBI:75771) |
| CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) is a CMP-N-acyl-β-neuraminic acid (CHEBI:16788) |
| CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) is conjugate acid of CMP-N-glycoloyl-β-neuraminate(2−) (CHEBI:58376) |
| Incoming Relation(s) |
| CMP-N-glycoloyl-β-neuraminate(2−) (CHEBI:58376) is conjugate base of CMP-N-glycoloyl-β-neuraminic acid (CHEBI:18098) |
| IUPAC Name |
|---|
| cytidine 5'-[3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-β-D-galacto-non-2-ulopyranosylonic acid monophosphate] |
| Synonyms | Source |
|---|---|
| CMP-Neu5Gc | ChEBI |
| CMP-NeuNGc | KEGG COMPOUND |
| CMP-N-glycoloylneuraminate | KEGG COMPOUND |
| CMP-N-glycolylneuraminate | KEGG COMPOUND |
| CMP-β-Neu5Gc | ChEBI |
| cytidine-5'-monophosphono-N-glycoloyllneuraminic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C03691 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7789465 | Reaxys |
| Beilstein:7789465 | Beilstein |
| Citations |
|---|