boromycin (CHEBI:77880)

CHEBI:77880 - boromycin

ChEBI ID	CHEBI:77880
ChEBI Name	boromycin
Stars
Definition	A boron-containing macrolide antibiotic that is isolated from Streptomyces antibioticus.
Last Modified	2 December 2019
Submitter	Steve
Downloads	Molfile

Formula	C45H74BNO15
Net Charge	0
Average Mass	879.891
Monoisotopic Mass	879.51515
SMILES	CC(C)[C@@H]([NH3+])C(=O)O[C@H](C)[C@@H]1C/C=C\CC[C@H](O)C(C)(C)[C@@H]2CC[C@@H](C)[C@]3(O2)O[B-]24O[C@@H](C(=O)O1)[C@@]1(O[C@@H](CC[C@H]1C)C(C)(C)[C@H](O)CCC[C@@H]1C[C@H](OC(=O)[C@@H]3O2)[C@@H](C)O1)O4
InChI	InChI=1S/C45H73BNO15/c1-24(2)36(47)39(50)54-27(5)30-16-12-11-13-17-32(48)42(7,8)34-21-19-26(4)45(57-34)38-41(52)56-31-23-29(53-28(31)6)15-14-18-33(49)43(9,10)35-22-20-25(3)44(58-35)37(40(51)55-30)59-46(60-38,61-44)62-45/h11-12,24-38,48-49H,13-23,47H2,1-10H3/q-1/p+1/b12-11-/t25-,26-,27-,28-,29-,30+,31+,32+,33-,34+,35+,36-,37+,38+,44+,45+,46?/m1/s1
InChIKey	OOBFYEMEQCZLJL-IIWQOWOFSA-O

Wikipedia

Roles Classification

antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria.

anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	boromycin (CHEBI:77880) has role anti-HIV agent (CHEBI:64946)
	boromycin (CHEBI:77880) has role antibacterial agent (CHEBI:33282)
	boromycin (CHEBI:77880) has role bacterial metabolite (CHEBI:76969)
	boromycin (CHEBI:77880) is a macrodiolide (CHEBI:145556)
	boromycin (CHEBI:77880) is a macrolide antibiotic (CHEBI:25105)
	boromycin (CHEBI:77880) is a organoboron compound (CHEBI:38278)
	boromycin (CHEBI:77880) is a oxaspiro compound (CHEBI:37948)
	boromycin (CHEBI:77880) is a zwitterion (CHEBI:27369)

IUPAC Name
[(2R)-1-{(1R)-1-[(1R,2R,5S,6R,8R,12R,14S,17R,18R,19R,22S,24Z,28S,30S,33R)-12,28-dihydroxy-1,2,18,19-tetra(hydroxy-κO)-6,13,13,17,29,29,33-heptamethyl-3,20-dioxo-4,7,21,34,35-pentaoxatetracyclo[28.3.1.1^5,8.1^14,18]hexatriacont-24-en-22-yl]ethoxy}-3-methyl-1-oxobutan-2-aminiumato(4−)]boron

Synonym	Source
ETH 28829	ChemIDplus

Citations