EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C42H70NO15 |
| Net Charge | +1 |
| Average Mass | 829.014 |
| Monoisotopic Mass | 828.47400 |
| 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]2O)[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/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/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 | XJSFLOJWULLJQS-NGVXBBESSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| josamycin(1+) (CHEBI:747782) is a ammonium ion derivative (CHEBI:35274) |
| josamycin(1+) (CHEBI:747782) is conjugate acid of josamycin (CHEBI:31739) |
| Incoming Relation(s) |
| josamycin 2'-O-phosphate(1-) (CHEBI:747784) has functional parent josamycin(1+) (CHEBI:747782) |
| UniProt Name | Source |
|---|---|
| josamycin | UniProt |
| Citations |
|---|