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CHEBI:224219 - Kujimycin B

ChEBI IDCHEBI:224219
ChEBI NameKujimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H72O16
Net Charge0
Average Mass833.022
Monoisotopic Mass832.48204
SMILESCO[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@@H](O[C@H]3C[C@@](C)(OC)[C@H](OC(C)=O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H]([C@@H](C)[C@H](C)O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@@](C)(O)C[C@@H]2C)[C@H]1O
InChIInChI=1S/C42H72O16/c1-19-17-41(12,49)37(47)24(6)35(54-28(10)44)23(5)34(21(3)26(8)43)57-39(48)25(7)36(22(4)33(19)58-40-32(46)30(50-14)16-20(2)52-40)56-31-18-42(13,51-15)38(27(9)53-31)55-29(11)45/h19-27,30-36,38,40,43,46,49H,16-18H2,1-15H3/t19-,20+,21-,22+,23+,24+,25+,26-,27-,30-,31-,32-,33-,34+,35-,36+,38+,40-,41-,42+/m0/s1
InChIKeyJQMACDQCTNFQMM-OYZWSTRBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5350508)
ChEBI Ontology
Outgoing Relation(s)
Kujimycin B (CHEBI:224219) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,3R,4S,5R,7S,9S,10S,11R,12R,13R)-12-[(2R,4R,5R,6S)-5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-hydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-10-[(2S,3S,4S,6R)-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-4-yl] acetate
Manual XrefsDatabases
78443184ChemSpider