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CHEBI:211870 - Inostamycin

ChEBI IDCHEBI:211870
ChEBI NameInostamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H70O11
Net Charge0
Average Mass714.978
Monoisotopic Mass714.49181
SMILESCCC[C@H](O)[C@@]1(CC)C[C@@H](C)[C@](O)([C@]2(C)C[C@H](C)[C@@H]([C@H](CC)C(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@]3(C)O[C@@](O)([C@@H](CC)C(=O)O)[C@@H](C)[C@H](O)[C@@H]3CC)O2)O1
InChIInChI=1S/C39H70O11/c1-13-18-29(40)37(17-5)20-22(7)39(47,50-37)35(11)19-21(6)33(48-35)26(14-2)31(42)23(8)30(41)24(9)36(12)27(15-3)32(43)25(10)38(46,49-36)28(16-4)34(44)45/h21-30,32-33,40-41,43,46-47H,13-20H2,1-12H3,(H,44,45)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30-,32-,33-,35-,36+,37+,38+,39+/m0/s1
InChIKeyWLNBAYZLLFKUGH-QSDLVTITSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/np50070a008)
ChEBI Ontology
Outgoing Relation(s)
Inostamycin (CHEBI:211870) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(2R)-2-[(2R,3S,4R,5S,6R)-5-ethyl-6-[(2R,3R,4R,6S)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxybutyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3,6-dimethyloxan-2-yl]butanoic acid