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CHEBI:198487 - (3Z,5E,9S,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2-hydroxy-4-methoxy-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:198487
ChEBI Name(3Z,5E,9S,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2-hydroxy-4-methoxy-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
FormulaC35H58O9
Net Charge0
Average Mass622.840
Monoisotopic Mass622.40808
SMILESCCC1OC(O)(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/C35H58O9/c1-12-27-24(6)30(42-11)19-35(39,44-27)26(8)32(37)25(7)33-28(40-9)15-13-14-20(2)16-22(4)31(36)23(5)17-21(3)18-29(41-10)34(38)43-33/h13-15,17-18,22-28,30-33,36-37,39H,12,16,19H2,1-11H3/b15-13+,20-14+,21-17+,29-18-/t22-,23?,24-,25?,26?,27?,28-,30?,31?,32?,33?,35?/m0/s1
InChIKeyPHJNIIJIPBWHQB-HPPZBRQKSA-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-hydroxy-4-methoxy-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:198487) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,9S,11E,13E,15S)-16-[4-[(5R)-6-ethyl-2-hydroxy-4-methoxy-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