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CHEBI:198568 - Makinolide

ChEBI IDCHEBI:198568
ChEBI NameMakinolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H65NO12
Net Charge0
Average Mass799.999
Monoisotopic Mass799.45068
SMILESCO[C@H]1/C=C/C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C=C(\C)C(=O)O[C@@H]1[C@H](C)[C@H](O)[C@@H](C)[C@]1(O)C[C@H](OC(=O)/C=C/C(=O)NC2=C(O)CCC2=O)[C@H](C)[C@H](C(C)C)O1
InChIInChI=1S/C44H65NO12/c1-23(2)41-29(8)35(55-37(49)18-17-36(48)45-38-32(46)15-16-33(38)47)22-44(53,57-41)31(10)40(51)30(9)42-34(54-11)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-28(7)43(52)56-42/h12-14,17-18,20-21,23,26-27,29-31,34-35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12+,18-17+,24-13+,25-20+,28-21+/t26-,27+,29-,30+,31+,34-,35-,39-,40-,41-,42+,44-/m0/s1
InChIKeyMYWSWSFOXLNABZ-BMGGDMBQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies MK-30 (ncbitaxon:1132861) - PubMed (22491135)
ChEBI Ontology
Outgoing Relation(s)
Makinolide (CHEBI:198568) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2S,4S,5S,6S)-2-hydroxy-2-[(2R,3S,4R)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate