(+)-aplasmomycin (CHEBI:32617)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:32617 - (+)-aplasmomycin

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:32617
ChEBI Name	(+)-aplasmomycin
Stars
Last Modified	6 May 2008
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C40H60BO14.Na
Net Charge	0
Average Mass	798.708
Monoisotopic Mass	798.39738
SMILES	[H][C@@]12O[B-]34O[C@]15O[C@@]([H])(CC[C@H]5C)C(C)(C)[C@H](O)C/C=C/[C@]1([H])C[C@]([H])(OC(=O)[C@]([H])(O3)[C@]3(O4)O[C@@]([H])(CC[C@H]3C)C(C)(C)[C@H](O)C/C=C/[C@]3([H])C[C@]([H])(OC2=O)[C@@H](C)O3)[C@@H](C)O1.[Na+]
InChI	InChI=1S/C40H60BO14.Na/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40;/h9-12,21-34,42-43H,13-20H2,1-8H3;/q-1;+1/b11-9+,12-10+;/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,39+,40+,41?;/m1./s1
InChIKey	GEIYDRPAWIMINR-ZDKANEFWSA-N

Roles Classification

Biological Role:

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

ChEBI Ontology

Outgoing Relation(s)
	(+)-aplasmomycin (CHEBI:32617) is a boron oxoanion (CHEBI:33619)
	(+)-aplasmomycin (CHEBI:32617) is a macrolide antibiotic (CHEBI:25105)

IUPAC Name
sodium [(1R,2R,5S,6R,8S,9E,12R,14S,17R,18R,19R,22S,23R,25S,26E,29R,31S,34R)-12,29-dihydroxy-1,2,18,19-tetra(hydroxy-κO)-6,13,13,17,23,30,30,34-octamethyl-4,7,21,24,35,37-hexaoxapentacyclo[29.3.1.1^5,8.1^14,18.1^22,25]octatriaconta-9,26-diene-3,20-dionato(4−)]borate(1−)

Synonym	Source
aplasmomycin	ChemIDplus

Registry Numbers	Sources
Beilstein:5801225	Beilstein
CAS:61230-25-9	ChemIDplus