EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221054 - (3Z,5E,9S,11E,13E,15S)-16-[(E)-3,9-dihydroxy-4,8-dimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

ChEBI IDCHEBI:221054
ChEBI Name(3Z,5E,9S,11E,13E,15S)-16-[(E)-3,9-dihydroxy-4,8-dimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O8
Net Charge0
Average Mass590.798
Monoisotopic Mass590.38187
SMILESCCC(O)C(C)/C=C/C(=O)C(C)C(O)C(C)C1OC(=O)/C(OC)=C/C(C)=C/C(C)C(O)[C@@H](C)C/C(C)=C/C=C/[C@@H]1OC
InChIInChI=1S/C34H54O8/c1-11-27(35)22(4)15-16-28(36)25(7)32(38)26(8)33-29(40-9)14-12-13-20(2)17-23(5)31(37)24(6)18-21(3)19-30(41-10)34(39)42-33/h12-16,18-19,22-27,29,31-33,35,37-38H,11,17H2,1-10H3/b14-12+,16-15+,20-13+,21-18+,30-19-/t22?,23-,24?,25?,26?,27?,29-,31?,32?,33?/m0/s1
InChIKeyBGXPLISAUSXTHZ-UQUDRGRZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CS (ncbitaxon:876169) - PubMed (20823894)
ChEBI Ontology
Outgoing Relation(s)
(3Z,5E,9S,11E,13E,15S)-16-[(E)-3,9-dihydroxy-4,8-dimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one (CHEBI:221054) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,9S,11E,13E,15S)-16-[(E)-3,9-dihydroxy-4,8-dimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one