EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:757097 - ruxotemitide
| Formula | C78H106N18O9 |
| Net Charge | 0 |
| Average Mass | 1439.823 |
| Monoisotopic Mass | 1438.83902 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(c1ccccc1)c1ccccc1)C(N)=O |
| InChI | InChI=1S/C78H106N18O9/c79-38-18-13-30-57(84)71(98)90-62(35-15-20-40-81)73(100)93-66(44-52-47-87-59-32-11-8-28-55(52)59)76(103)95-65(43-51-46-86-58-31-10-7-27-54(51)58)75(102)92-63(36-16-21-41-82)72(99)91-64(37-17-22-42-83)74(101)94-67(45-53-48-88-60-33-12-9-29-56(53)60)77(104)96-69(78(105)89-61(70(85)97)34-14-19-39-80)68(49-23-3-1-4-24-49)50-25-5-2-6-26-50/h1-12,23-29,31-33,46-48,57,61-69,86-88H,13-22,30,34-45,79-84H2,(H2,85,97)(H,89,105)(H,90,98)(H,91,99)(H,92,102)(H,93,100)(H,94,101)(H,95,103)(H,96,104)/t57-,61-,62-,63-,64-,65-,66-,67-,69-/m0/s1 |
| InChIKey | GGAKLYWEFZCVIT-TVEKFXMRSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ruxotemitide (CHEBI:757097) has role antineoplastic agent (CHEBI:35610) |
| ruxotemitide (CHEBI:757097) is a polypeptide (CHEBI:15841) |
| INNs | Source |
|---|---|
| ruxotemitida | WHO MedNet |
| ruxotemitide | WHO MedNet |
| Synonyms | Source |
|---|---|
| Kkwwkkw-.beta.-phenyl-fk-nh2 | ChEMBL |
| Kkwwkkwdipk-nh2 | ChEMBL |
| Ltx 315 | ChEMBL |
| Ltx-315 | ChEMBL |
| Oncopore | ChEMBL |
| Citations |
|---|