EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:129121 - (6S,7S,8R)-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
| Formula | C24H25N3O3 |
| Net Charge | 0 |
| Average Mass | 403.482 |
| Monoisotopic Mass | 403.18959 |
| SMILES | CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccnc4)CC(=O)N3[C@H]2CO)cc1 |
| InChI | InChI=1S/C24H25N3O3/c1-2-3-4-6-17-8-10-18(11-9-17)23-20-14-26(15-22(29)27(20)21(23)16-28)24(30)19-7-5-12-25-13-19/h5,7-13,20-21,23,28H,2-3,14-16H2,1H3/t20-,21+,23+/m1/s1 |
| InChIKey | GFTMAWDXPFZQQI-GIWBLDEGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6S,7S,8R)-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129121) is a azetidines (CHEBI:38777) |
| (6S,7S,8R)-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129121) is a benzenes (CHEBI:22712) |
| (6S,7S,8R)-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:129121) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40672 | LINCS |