EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C65H116N6O21 |
| Net Charge | 0 |
| Average Mass | 1317.664 |
| Monoisotopic Mass | 1316.81935 |
| SMILES | [H][C@@](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)([C@H](O)CO)[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](C)C(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(N)=O)[C@H](C=O)NC(C)=O |
| InChI | InChI=1S/C65H116N6O21/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-54(79)87-41-48(90-55(80)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)42-88-64(86)44(4)67-53(78)37-36-49(61(66)83)71-62(84)43(3)68-63(85)45(5)89-59(50(38-72)69-46(6)75)60(51(77)39-73)92-65-56(70-47(7)76)58(82)57(81)52(40-74)91-65/h38,43-45,48-52,56-60,65,73-74,77,81-82H,8-37,39-42H2,1-7H3,(H2,66,83)(H,67,78)(H,68,85)(H,69,75)(H,70,76)(H,71,84)/t43-,44-,45+,48+,49+,50-,51+,52+,56+,57+,58+,59+,60+,65-/m0/s1 |
| InChIKey | DNUXJWBKTMJNEP-JVSLBXKQSA-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) |
| disaccharide tripeptide glycerol dipalmitoyl (CHEBI:756882) has role antineoplastic agent (CHEBI:35610) |
| disaccharide tripeptide glycerol dipalmitoyl (CHEBI:756882) is a dipeptide (CHEBI:46761) |
| Synonyms | Source |
|---|---|
| Disaccharide tripeptide glycerol dipalmitoyl | ChEMBL |
| Dtp-gdp | ChEMBL |
| Immther | ChEMBL |