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CHEBI:224224 - Kujimycin A

ChEBI IDCHEBI:224224
ChEBI NameKujimycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H70O15
Net Charge0
Average Mass790.985
Monoisotopic Mass790.47147
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](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/C40H70O15/c1-18-16-39(11,47)35(44)23(6)33(52-27(10)42)22(5)32(20(3)25(8)41)54-37(46)24(7)34(53-29-17-40(12,49-14)36(45)26(9)51-29)21(4)31(18)55-38-30(43)28(48-13)15-19(2)50-38/h18-26,28-34,36,38,41,43,45,47H,15-17H2,1-14H3/t18-,19+,20-,21+,22+,23-,24-,25+,26-,28+,29+,30-,31-,32+,33-,34+,36-,38+,39+,40+/m0/s1
InChIKeyXITHDKRNUSLORY-QLNTUOTNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5350508)
ChEBI Ontology
Outgoing Relation(s)
Kujimycin A (CHEBI:224224) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,3R,4S,5S,7R,9S,10S,11R,12R,13S)-7-hydroxy-2-[(2S,3R)-3-hydroxybutan-2-yl]-12-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2R,3S,4R,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
78443185ChemSpider