alborixin (CHEBI:77940)

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CHEBI:77940 - alborixin

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ChEBI ID	CHEBI:77940
ChEBI Name	alborixin
Stars
Definition	A polyether antibiotic that is isolated from cultures of a strain of Streptomyces albus.
Last Modified	27 March 2014
Submitter	Steve
Downloads	Molfile

Formula	C48H84O14
Net Charge	0
Average Mass	885.186
Monoisotopic Mass	884.58611
SMILES	[H][C@]1([C@@H](C)C(=O)O)O[C@@H](C[C@@H](O)[C@H](C)[C@@]2([H])CC[C@H](C)[C@@](O)(C[C@H]3O[C@@](O)([C@H](O)[C@]4([H])CC[C@@](C)([C@]5(O)O[C@](C)([C@@]6([H])CC[C@@](C)(O)[C@H](CC)O6)C[C@H]5C)O4)[C@H](C)C[C@@H]3C)O2)[C@H](C)C[C@@H]1C
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

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	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.

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
US4933364	Patent

Registry Numbers	Sources
Reaxys:6262683	Reaxys
CAS:57760-36-8	ChemIDplus

Citations