EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:758971 - uzoptirine
| Formula | C66H83N9O18S |
| Net Charge | 0 |
| Average Mass | 1322.502 |
| Monoisotopic Mass | 1321.55768 |
| SMILES | [H][C@@]12CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc3cc4c(cc3OC)C(=O)N3C=C(C)C[C@@]3([H])C=N4)cc1N(C(=O)OCc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)COCCOCCNS(=O)(=O)NC(=O)OC[C@@H]3[C@]4([H])CCC#CCC[C@]34[H])C(C)C)cc1)[C@H]2O |
| InChI | InChI=1S/C66H83N9O18S/c1-39(2)59(71-58(76)38-89-26-25-88-24-21-68-94(84,85)72-65(82)92-37-50-46-15-11-8-9-12-16-47(46)50)61(78)69-42(5)60(77)70-44-19-17-43(18-20-44)36-93-66(83)75-52-32-57(55(87-7)30-49(52)63(80)74-35-41(4)28-53(74)64(75)81)91-23-14-10-13-22-90-56-31-51-48(29-54(56)86-6)62(79)73-34-40(3)27-45(73)33-67-51/h17-20,29-35,39,42,45-47,50,53,59,64,68,81H,10-16,21-28,36-38H2,1-7H3,(H,69,78)(H,70,77)(H,71,76)(H,72,82)/t42-,45-,46-,47+,50-,53-,59-,64-/m0/s1 |
| InChIKey | GYWJLJHLCOVBNB-QXPKFWTNSA-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) |
| uzoptirine (CHEBI:758971) has role antineoplastic agent (CHEBI:35610) |
| uzoptirine (CHEBI:758971) is a dipeptide (CHEBI:46761) |
| Synonyms | Source |
|---|---|
| PL-1601 | ChEMBL |
| PL1601 | ChEMBL |
| Uzoptirine | ChEMBL |