CHEBI:230261 - Solithromycin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Solithromycin
ChEBI ID CHEBI:230261
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H65FN6O10
Net Charge 0
Average Mass 845.023
Monoisotopic Mass 844.47462
InChI InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1
InChIKey IXXFZUPTQVDPPK-ZAWHAJPISA-N
SMILES F[C@]1(C(=O)[C@@H]([C@@H](O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C)[C@](OC)(C[C@H](C(=O)[C@@H]([C@H]3N(C(O[C@@]3([C@H](OC1=O)CC)C)=O)CCCCN4N=NC(=C4)C5=CC(N)=CC=C5)C)C)C)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Solithromycin (CHEBI:230261) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(1S,2R,5S,7R,8R,9R,11R,13R,14R)-15-[4-[4-(3-aminophenyl)triazol-1-yl]butyl]-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5-luoro-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
Manual Xrefs Databases
25056854 ChemSpider
DB09308 KEGG DRUG
EM1 PDBeChem
View more database links