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CHEBI:68323 - bastadin 5
| Formula | C34H27Br5N4O8 |
| Net Charge | 0 |
| Average Mass | 1019.130 |
| Monoisotopic Mass | 1013.77457 |
| SMILES | O=C1NCCc2ccc(Br)c(c2)Oc2ccc(c(Br)c2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N\O |
| InChI | InChI=1S/C34H27Br5N4O8/c35-20-3-1-16-5-7-40-33(46)25(43-49)13-18-9-21(36)30(44)28(15-18)51-32-22(37)10-17(11-23(32)38)12-24(42-48)34(47)41-8-6-19-2-4-26(31(45)29(19)39)50-27(20)14-16/h1-4,9-11,14-15,44-45,48-49H,5-8,12-13H2,(H,40,46)(H,41,47)/b42-24+,43-25+ |
| InChIKey | RINLQEBBENMFQH-FFVIWPAXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ianthella (ncbitaxon:375145) | - | PubMed (21214221) |
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. calcium channel modulator A membrane transport modulator that is able to regulate intracellular calcium levels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bastadin 5 (CHEBI:68323) has role calcium channel modulator (CHEBI:38808) |
| bastadin 5 (CHEBI:68323) has role metabolite (CHEBI:25212) |
| bastadin 5 (CHEBI:68323) is a cyclic ether (CHEBI:37407) |
| bastadin 5 (CHEBI:68323) is a ketoxime (CHEBI:24983) |
| bastadin 5 (CHEBI:68323) is a lactam (CHEBI:24995) |
| bastadin 5 (CHEBI:68323) is a macrocycle (CHEBI:51026) |
| bastadin 5 (CHEBI:68323) is a organobromine compound (CHEBI:37141) |
| bastadin 5 (CHEBI:68323) is a polyphenol (CHEBI:26195) |
| IUPAC Name |
|---|
| (12E,25E)-4,16,21,31,36-pentabromo-17,32-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodecaene-11,26-dione |
| Synonyms | Source |
|---|---|
| 2,18-Dioxa-10,27-diazapentacyclo(28.2.2.2(14,17).1(3,7).1(19,23))octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone, 5,16,21,32,36-pentabromo-4,20-dihydroxy-, 12,25-dioxime | ChemIDplus |
| bastadin-5 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4226459 | Reaxys |
| CAS:79067-75-7 | ChemIDplus |
| Citations |
|---|