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CHEBI:68683 - CMP-N,N-diacetyllegionaminic acid
| Formula | C22H34N5O15P |
| Net Charge | 0 |
| Average Mass | 639.508 |
| Monoisotopic Mass | 639.17890 |
| SMILES | [H][C@@]1([C@H](NC(C)=O)[C@@H](C)O)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(C)=O |
| InChI | InChI=1S/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11+,12-,14-,15-,16-,17-,18+,19-,22-/m1/s1 |
| InChIKey | XTZJKGIMUFZFBV-QBAABWDMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CMP-N,N-diacetyllegionaminic acid (CHEBI:68683) has functional parent legionaminic acid (CHEBI:68676) |
| CMP-N,N-diacetyllegionaminic acid (CHEBI:68683) is a CMP-sugar (CHEBI:20878) |
| CMP-N,N-diacetyllegionaminic acid (CHEBI:68683) is conjugate acid of CMP-N,N-diacetyllegionaminate(2−) (CHEBI:68670) |
| Incoming Relation(s) |
| CMP-N,N-diacetyllegionaminate(2−) (CHEBI:68670) is conjugate base of CMP-N,N-diacetyllegionaminic acid (CHEBI:68683) |
| IUPAC Name |
|---|
| cytidine 5'-(5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-β-D-galacto-non-2-ulopyranosylonic acid monophosphate) |
| Manual Xrefs | Databases |
|---|---|
| CPD-13167 | MetaCyc |
| WO2010127443 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:20879590 | Reaxys |
| Citations |
|---|