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CHEBI:759285 - opadotin
| Formula | C47H82N6O12 |
| Net Charge | 0 |
| Average Mass | 923.203 |
| Monoisotopic Mass | 922.59907 |
| SMILES | [H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C |
| InChI | InChI=1S/C47H82N6O12/c1-12-33(6)42(52(9)46(57)40(31(2)3)50-45(56)41(32(4)5)51(8)21-22-62-23-24-63-25-26-64-27-28-65-48)38(60-10)30-39(54)53-20-16-19-37(53)43(61-11)34(7)44(55)49-36(47(58)59)29-35-17-14-13-15-18-35/h13-15,17-18,31-34,36-38,40-43H,12,16,19-30,48H2,1-11H3,(H,49,55)(H,50,56)(H,58,59)/t33-,34+,36-,37-,38+,40-,41-,42-,43+/m0/s1 |
| InChIKey | OJYZGXVPCDZLCK-KVEFUIBJSA-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) |
| opadotin (CHEBI:759285) has role antineoplastic agent (CHEBI:35610) |
| opadotin (CHEBI:759285) is a peptide (CHEBI:16670) |
| Synonyms | Source |
|---|---|
| Amberstatin | ChEMBL |
| AS-269 | ChEMBL |
| AS269 | ChEMBL |
| Opadotin | ChEMBL |