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CHEBI:750428 - krn5500
| Formula | C28H43N7O7 |
| Net Charge | 0 |
| Average Mass | 589.694 |
| Monoisotopic Mass | 589.32240 |
| SMILES | CCCCCCCCC/C=C/C=C/C(=O)NCC(=O)N[C@@H]1C(O)[C@H](O)C(Nc2ncnc3ncnc23)OC1[C@H](O)CO |
| InChI | InChI=1S/C28H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(38)29-14-20(39)34-21-23(40)24(41)28(42-25(21)18(37)15-36)35-27-22-26(31-16-30-22)32-17-33-27/h10-13,16-18,21,23-25,28,36-37,40-41H,2-9,14-15H2,1H3,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/b11-10+,13-12+/t18-,21-,23?,24+,25?,28?/m1/s1 |
| InChIKey | LQIPDFIUPOYMPR-RMOMFDTOSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| krn5500 (CHEBI:750428) has role antineoplastic agent (CHEBI:35610) |
| krn5500 (CHEBI:750428) is a N-acyl-amino acid (CHEBI:51569) |
| Synonyms | Source |
|---|---|
| Krn-5500 | ChEMBL |
| KRN5500 | ChEMBL |
| NSC-650426 | ChEMBL |
| SPK-241 | ChEMBL |