EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | H2O4S.C19H37N5O7.H2O4S.C19H37N5O7.H2O4S.H2O4S.H2O4S |
| Net Charge | 0 |
| Average Mass | 1385.461 |
| Monoisotopic Mass | 1384.37549 |
| SMILES | O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[H][C@]1(O[C@H]2[C@H](O)[C@@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)OC(CN)=CC[C@H]1N.[H][C@]1(O[C@H]2[C@H](O)[C@@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)OC(CN)=CC[C@H]1N |
| InChI | InChI=1S/2C19H37N5O7.5H2O4S/c2*1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;5*1-5(2,3)4/h2*3,9-18,24-27H,4-7,20-23H2,1-2H3;5*(H2,1,2,3,4)/t2*9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+;;;;;/m11...../s1 |
| InChIKey | CIKNYWFPGZCHDL-ZHFUJENKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sisomicin sulfate (CHEBI:756083) is a cyclohexanols (CHEBI:23480) |
| Synonyms | Source |
|---|---|
| NSC-757315 | ChEMBL |
| SCH 13475 SULFATE | ChEMBL |
| SCH-13475 SULFATE | ChEMBL |
| Sch 13475 sulphate | ChEMBL |
| Sisomicin sulphate | ChEMBL |
| Sissomicin sulfate | ChEMBL |
| Citations |
|---|