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

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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
ChEBI ID CHEBI:221054
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C34H54O8
Net Charge 0
Average Mass 590.798
Monoisotopic Mass 590.38187
InChI InChI=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
InChIKey BGXPLISAUSXTHZ-UQUDRGRZSA-N
SMILES O=C1OC([C@@H](OC)C=CC=C(C[C@@H](C(C(C=C(C=C1OC)C)C)O)C)C)C(C(O)C(C(=O)/C=C/C(C(O)CC)C)C)C
Metabolite of Species Details
Streptomycesspecies CS (NCBI:txid876169) See: PubMed
ChEBI Ontology
Outgoing (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