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CHEBI:216831 - (3Z,5E,9S,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

ChEBI IDCHEBI:216831
ChEBI Name(3Z,5E,9S,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O9
Net Charge0
Average Mass636.867
Monoisotopic Mass636.42373
SMILESCCC1OC(OC)(C(C)C(O)C(C)C2OC(=O)/C(OC)=C/C(C)=C/C(C)C(O)[C@@H](C)C/C(C)=C/C=C/[C@@H]2OC)CC(OC)[C@H]1C
InChIInChI=1S/C36H60O9/c1-13-28-25(6)31(42-11)20-36(43-12,45-28)27(8)33(38)26(7)34-29(40-9)16-14-15-21(2)17-23(4)32(37)24(5)18-22(3)19-30(41-10)35(39)44-34/h14-16,18-19,23-29,31-34,37-38H,13,17,20H2,1-12H3/b16-14+,21-15+,22-18+,30-19-/t23-,24?,25-,26?,27?,28?,29-,31?,32?,33?,34?,36?/m0/s1
InChIKeyOQKFUGHLVOUEBH-VATMEMFHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CS (ncbitaxon:876169) - PubMed (20823894)
ChEBI Ontology
Outgoing Relation(s)
(3Z,5E,9S,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (CHEBI:216831) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,9S,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one