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CHEBI:202034 - Saquayamycin K

ChEBI IDCHEBI:202034
ChEBI NameSaquayamycin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H52O16
Net Charge0
Average Mass824.873
Monoisotopic Mass824.32554
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@@]3(C)CC(=O)[C@]4(O)C5=C(C=C[C@]4(O)C3)C(=O)c3c(ccc([C@H]4C[C@@H](O)[C@H](O[C@H]6CC[C@H](O)[C@H](C)O6)[C@@H](C)O4)c3O)C5=O)O[C@H]2C)C=CC1=O
InChIInChI=1S/C43H52O16/c1-19-26(44)8-11-32(54-19)57-29-10-13-34(56-21(29)3)59-41(5)17-31(47)43(52)36-25(14-15-42(43,51)18-41)38(49)35-24(39(36)50)7-6-23(37(35)48)30-16-28(46)40(22(4)53-30)58-33-12-9-27(45)20(2)55-33/h6-8,11,14-15,19-22,27-30,32-34,40,45-46,48,51-52H,9-10,12-13,16-18H2,1-5H3/t19-,20-,21-,22+,27-,28+,29-,30+,32-,33-,34-,40+,41-,42-,43-/m0/s1
InChIKeyIRUOUSKOEMSLSZ-HPBRJGKASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22758660)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Saquayamycin K (CHEBI:202034) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
28516039ChemSpider