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CHEBI:78661 - borrelidin
| Formula | C28H43NO6 |
| Net Charge | 0 |
| Average Mass | 489.653 |
| Monoisotopic Mass | 489.30904 |
| SMILES | [H][C@]1([C@]2([H])CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 |
| InChI | InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25+,27+/m0/s1 |
| InChIKey | OJCKRNPLOZHAOU-JTHVHBRGSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Applications: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| borrelidin (CHEBI:78661) has role antifungal agent (CHEBI:35718) |
| borrelidin (CHEBI:78661) has role antimalarial (CHEBI:38068) |
| borrelidin (CHEBI:78661) has role antimicrobial agent (CHEBI:33281) |
| borrelidin (CHEBI:78661) has role antineoplastic agent (CHEBI:35610) |
| borrelidin (CHEBI:78661) has role apoptosis inducer (CHEBI:68495) |
| borrelidin (CHEBI:78661) has role bacterial metabolite (CHEBI:76969) |
| borrelidin (CHEBI:78661) is a aliphatic nitrile (CHEBI:80291) |
| borrelidin (CHEBI:78661) is a diol (CHEBI:23824) |
| borrelidin (CHEBI:78661) is a macrolide (CHEBI:25106) |
| borrelidin (CHEBI:78661) is a monocarboxylic acid (CHEBI:25384) |
| borrelidin (CHEBI:78661) is a secondary alcohol (CHEBI:35681) |
| IUPAC Name |
|---|
| (1R,2R)-2-[(2R,4E,6Z,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid |
| Synonym | Source |
|---|---|
| Treponemycin | ChemIDplus |
| Citations |
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