EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C42H69NO18P |
| Net Charge | -1 |
| Average Mass | 906.977 |
| Monoisotopic Mass | 906.42577 |
| SMILES | CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H]([NH+](C)C)[C@H]2OP(=O)([O-])[O-])[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O |
| InChI | InChI=1S/C42H70NO18P/c1-23(2)19-32(47)58-40-27(6)55-34(22-42(40,8)49)59-36-26(5)56-41(39(35(36)43(9)10)61-62(50,51)52)60-37-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)54-33(48)21-31(38(37)53-11)57-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49H,15,17,19-22H2,1-11H3,(H2,50,51,52)/p-1/b13-12+,16-14+/t24-,25-,26-,27+,29+,30+,31-,34+,35+,36-,37+,38+,39-,40+,41+,42-/m1/s1 |
| InChIKey | MVWRVTWLYVHLQK-OERYBQHUSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| josamycin 2'-O-phosphate(1-) (CHEBI:747784) has functional parent josamycin(1+) (CHEBI:747782) |
| josamycin 2'-O-phosphate(1-) (CHEBI:747784) is a organophosphate oxoanion (CHEBI:58945) |
| UniProt Name | Source |
|---|---|
| josamycin 2'-O-phosphate | UniProt |
| Citations |
|---|