EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:211875 - Carbamidocyclophane M
| Formula | C38H57BrN2O8 |
| Net Charge | 0 |
| Average Mass | 749.784 |
| Monoisotopic Mass | 748.32983 |
| SMILES | CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@@H](CCCCBr)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 |
| InChI | InChI=1S/C38H57BrN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25-,26+,35+,36+/m0/s1 |
| InChIKey | GMONSDQGAGUQRU-YXTQZPCGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nostocspecies (ncbitaxon:1180) | - | PubMed (26805858) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Carbamidocyclophane M (CHEBI:211875) is a phenols (CHEBI:33853) |
| IUPAC Name |
|---|
| [(2R,3S,8S,13R,14S,19R)-19-(4-bromobutyl)-8-butyl-13-carbamoyloxy-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate |
| Manual Xrefs | Databases |
|---|---|
| 78439213 | ChemSpider |