(3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-{(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]-3-penten-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one (CHEBI:210495)

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CHEBI:210495 - (3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-{(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]-3-penten-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one

Default Structure

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ChEBI ID	CHEBI:210495
ChEBI Name	(3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-{(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]-3-penten-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H50O6
Net Charge	0
Average Mass	554.768
Monoisotopic Mass	554.36074
SMILES	CC[C@H]1OC(/C(C)=C/[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)=CC=C1C
InChI	InChI=1S/C34H50O6/c1-11-28-23(4)15-16-29(39-28)24(5)20-27(8)33-30(37-9)14-12-13-21(2)17-25(6)32(35)26(7)18-22(3)19-31(38-10)34(36)40-33/h12-16,18-20,25-28,30,32-33,35H,11,17H2,1-10H3/b14-12-,21-13-,22-18-,24-20+,31-19+/t25-,26+,27-,28+,30-,32-,33+/m0/s1
InChIKey	JXMOXMDSHOTTME-SWDJTEKNSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies CS (ncbitaxon:876169)	-	PubMed (15580961)

ChEBI Ontology

Outgoing Relation(s)
	(3Z,5E,7R,8S,9R,11E,13E,15S,16R)-16-{(2S,3E)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]-3-penten-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one (CHEBI:210495) is a macrolide (CHEBI:25106)

IUPAC Name
(3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(E,2S)-4-[(2R)-2-ethyl-3-methyl-2H-pyran-6-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one

Manual Xrefs	Databases
78437961	ChemSpider