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CHEBI:22689 - bafilomycin A1
| Formula | C35H58O9 |
| Net Charge | 0 |
| Average Mass | 622.840 |
| Monoisotopic Mass | 622.40808 |
| SMILES | CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O |
| InChI | InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1 |
| InChIKey | XDHNQDDQEHDUTM-JQWOJBOSSA-N |
| Roles Classification |
|---|
| Biological Roles: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that inhibits H+/K+-exchanging ATPase, EC 3.6.3.10. Such compounds are also known as proton pump inhibitors. potassium ionophore Any ionophore capable of transportation of potassium ions across membranes. EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of H+-transporting two-sector ATPase inhibitor (EC 3.6.3.14). autophagy inhibitor Any compound that inhibits the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). fungicide A substance used to destroy fungal pests. ferroptosis inhibitor Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Application: | fungicide A substance used to destroy fungal pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bafilomycin A1 (CHEBI:22689) has role apoptosis inducer (CHEBI:68495) |
| bafilomycin A1 (CHEBI:22689) has role autophagy inhibitor (CHEBI:88230) |
| bafilomycin A1 (CHEBI:22689) has role bacterial metabolite (CHEBI:76969) |
| bafilomycin A1 (CHEBI:22689) has role EC 3.6.3.10 (H+/K+-exchanging ATPase) inhibitor (CHEBI:49200) |
| bafilomycin A1 (CHEBI:22689) has role EC 3.6.3.14 (H+-transporting two-sector ATPase) inhibitor (CHEBI:73214) |
| bafilomycin A1 (CHEBI:22689) has role ferroptosis inhibitor (CHEBI:173084) |
| bafilomycin A1 (CHEBI:22689) has role fungicide (CHEBI:24127) |
| bafilomycin A1 (CHEBI:22689) has role potassium ionophore (CHEBI:88227) |
| bafilomycin A1 (CHEBI:22689) has role toxin (CHEBI:27026) |
| bafilomycin A1 (CHEBI:22689) is a cyclic hemiketal (CHEBI:59780) |
| bafilomycin A1 (CHEBI:22689) is a macrolide antibiotic (CHEBI:25105) |
| bafilomycin A1 (CHEBI:22689) is a oxanes (CHEBI:46942) |
| IUPAC Name |
|---|
| (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3640011 | Beilstein |
| Beilstein:4730699 | Beilstein |
| Reaxys:4730700 | Reaxys |
| CAS:88899-55-2 | ChemIDplus |
| Citations |
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