spiramycin II (CHEBI:31168)

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CHEBI:31168 - spiramycin II

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ChEBI ID	CHEBI:31168
ChEBI Name	spiramycin II
Stars
Definition	A macrolide antibiotic produced by various Streptomyces species.
Last Modified	22 February 2017
Downloads	Molfile

Formula	C45H76N2O15
Net Charge	0
Average Mass	885.102
Monoisotopic Mass	884.52457
SMILES	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
InChI	InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
InChIKey	ZPCCSZFPOXBNDL-RSMXASMKSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. antibacterial drug A drug used to treat or prevent bacterial infections. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:	antibacterial drug A drug used to treat or prevent bacterial infections.

ChEBI Ontology

Outgoing Relation(s)
	spiramycin II (CHEBI:31168) has role antibacterial drug (CHEBI:36047)
	spiramycin II (CHEBI:31168) has role antimicrobial agent (CHEBI:33281)
	spiramycin II (CHEBI:31168) has role bacterial metabolite (CHEBI:76969)
	spiramycin II (CHEBI:31168) is a acetate ester (CHEBI:47622)
	spiramycin II (CHEBI:31168) is a aldehyde (CHEBI:17478)
	spiramycin II (CHEBI:31168) is a disaccharide derivative (CHEBI:63353)
	spiramycin II (CHEBI:31168) is a ether (CHEBI:25698)
	spiramycin II (CHEBI:31168) is a macrolide (CHEBI:25106)
	spiramycin II (CHEBI:31168) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-10-{[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl acetate

Synonyms	Source
Acetylspiramycin	KEGG COMPOUND
Acetylspiramycinum	ChemIDplus
Foromacidine B	ChemIDplus
Foromacidin B	ChemIDplus
Spiramycin 2	ChemIDplus
Spiramycin B	ChemIDplus

Manual Xrefs	Databases
C12891	KEGG COMPOUND
D02420	KEGG DRUG
LMPK05000002	LIPID MAPS
WO2011147316	Patent

Registry Numbers	Sources
Reaxys:25081792	Reaxys
CAS:24916-51-6	KEGG COMPOUND
CAS:24916-51-6	ChemIDplus

Citations