CHEBI:77940 - alborixin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name alborixin
ChEBI ID CHEBI:77940
Definition A polyether antibiotic that is isolated from cultures of a strain of Streptomyces albus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C48H84O14
Net Charge 0
Average Mass 885.17220
Monoisotopic Mass 884.58611
InChI InChI=1S/C48H84O14/c1-13-38-43(10,53)18-17-39(58-38)44(11)23-30(7)48(56,62-44)45(12)19-16-35(59-45)41(50)47(55)29(6)21-26(3)37(61-47)24-46(54)28(5)14-15-34(60-46)31(8)33(49)22-36-25(2)20-27(4)40(57-36)32(9)42(51)52/h25-41,49-50,53-56H,13-24H2,1-12H3,(H,51,52)/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40+,41-,43-,44+,45+,46-,47-,48-/m1/s1
InChIKey WWDHGOLBPBWCNJ-GXXSWWTOSA-N
SMILES CC[C@@H]1O[C@H](CC[C@@]1(C)O)[C@]1(C)C[C@@H](C)[C@@](O)(O1)[C@]1(C)CC[C@H](O1)[C@@H](O)[C@]1(O)O[C@H](C[C@@]2(O)O[C@H](CC[C@@H]2C)[C@@H](C)[C@H](O)C[C@@H]2O[C@H]([C@@H](C)C(O)=O)[C@@H](C)C[C@H]2C)[C@@H](C)C[C@H]1C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): ionophore
A compound which can carry specific ions through membranes of cells or organelles.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alborixin (CHEBI:77940) has role ionophore (CHEBI:24869)
alborixin (CHEBI:77940) is a cyclic hemiketal (CHEBI:59780)
alborixin (CHEBI:77940) is a monocarboxylic acid (CHEBI:25384)
alborixin (CHEBI:77940) is a oxolanes (CHEBI:26912)
alborixin (CHEBI:77940) is a polyether antibiotic (CHEBI:26179)
IUPAC Name
(2R)-2-[(2S,3S,5R,6S)-6-{(2R,3S)-3-[(2R,5S,6R)-6-({(2R,3S,5R,6R)-6-[(R)-{(2S,2'R,3'R,5S,5'S)-5'-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]-2'-hydroxy-2,3',5'-trimethyloctahydro-2,2'-bifuran-5-yl}(hydroxy)methyl]-6-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl}methyl)-6-hydroxy-5-methyltetrahydro-2H-pyran-2-yl]-2-hydroxybutyl}-3,5-dimethyltetrahydro-2H-pyran-2-yl]propanoic acid
Synonym Source
Antibiotic S 14750A ChemIDplus
Manual Xref Database
US4933364 Patent
View more database links
Registry Numbers Types Sources
57760-36-8 CAS Registry Number ChemIDplus
6262683 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1929322 PubMed citation Europe PMC
28761 PubMed citation Europe PMC
3572663 PubMed citation Europe PMC
3823605 PubMed citation Europe PMC
511789 PubMed citation Europe PMC
541267 PubMed citation Europe PMC
7193017 PubMed citation Europe PMC
7785984 PubMed citation Europe PMC
94632 PubMed citation Europe PMC
950314 PubMed citation Europe PMC
956055 PubMed citation Europe PMC
Last Modified
27 March 2014