Rhodobacterioxanthin (CHEBI:197560)

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CHEBI:197560 - Rhodobacterioxanthin

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ChEBI ID	CHEBI:197560
ChEBI Name	Rhodobacterioxanthin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C42H58O3
Net Charge	0
Average Mass	610.923
Monoisotopic Mass	610.43860
SMILES	COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)OC
InChI	InChI=1S/C42H58O3/c1-35(21-14-22-36(2)23-15-25-38(4)28-18-32-41(6,7)44-10)20-12-13-30-40(34-43)31-17-27-37(3)24-16-26-39(5)29-19-33-42(8,9)45-11/h12-31,34H,32-33H2,1-11H3/b13-12+,21-14+,23-15+,24-16+,28-18+,29-19+,31-17+,35-20+,36-22+,37-27+,38-25+,39-26+,40-30+
InChIKey	ZPYRTVUAMSRSOX-YHCBAUBSSA-N

Species of Metabolite	Component	Source	Comments
Rhodobacter capsulatus (ncbitaxon:1061)	-	DOI (10.1248/cpb.45.1225)

ChEBI Ontology

Outgoing Relation(s)
	Rhodobacterioxanthin (CHEBI:197560) is a xanthophyll (CHEBI:27325)

IUPAC Name
(2E,4E,6E,8E,10E,12E,14E,16E)-19-methoxy-2-[(1E,3E,5E,7E,9E)-12-methoxy-4,8,12-trimethyltrideca-1,3,5,7,9-pentaenyl]-7,11,15,19-tetramethylicosa-2,4,6,8,10,12,14,16-octaenal

Manual Xrefs	Databases
4946318	ChemSpider