EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C23H31N3OS |
| Net Charge | 0 |
| Average Mass | 397.588 |
| Monoisotopic Mass | 397.21878 |
| SMILES | CCNC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1c1nc(C)c(C)s1 |
| InChI | InChI=1S/C23H31N3OS/c1-4-24-13-20-22(19-11-9-18(10-12-19)17-7-5-6-8-17)21(14-27)26(20)23-25-15(2)16(3)28-23/h7,9-12,20-22,24,27H,4-6,8,13-14H2,1-3H3/t20-,21+,22+/m1/s1 |
| InChIKey | CBVKNURKXGGYLC-FSSWDIPSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(4,5-dimethyl-2-thiazolyl)-4-(ethylaminomethyl)-2-azetidinyl]methanol (CHEBI:128808) is a azetidines (CHEBI:38777) |
| [(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(4,5-dimethyl-2-thiazolyl)-4-(ethylaminomethyl)-2-azetidinyl]methanol (CHEBI:128808) is a benzenes (CHEBI:22712) |
| [(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(4,5-dimethyl-2-thiazolyl)-4-(ethylaminomethyl)-2-azetidinyl]methanol (CHEBI:128808) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40360 | LINCS |