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CHEBI:182496 - Tulathromycin B

ChEBI IDCHEBI:182496
ChEBI NameTulathromycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H79N3O12
Net Charge0
Average Mass806.092
Monoisotopic Mass805.56637
SMILES[H][C@@]1([C@](C)(O)[C@H](O)CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@](O)(CNCCC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@@H]1C
InChIInChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)54-33-25(5)34(56-37-32(46)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)35(55-36(47)26(33)6)40(11,49)30(45)16-2/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1
InChIKeyJEBMHQVCOAWRCT-QPTWMBCESA-N
ChEBI Ontology
Outgoing Relation(s)
Tulathromycin B (CHEBI:182496) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(2R,3R,6R,8R,9R,10S,11S,12R)-2-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-11-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,6,8,10,12-pentamethyl-1-oxa-4-azacyclotridecan-13-one
Manual XrefsDatabases
C21789KEGG COMPOUND
26001683ChemSpider
Registry NumbersSources
CAS:280755-12-6ChemIDplus