CHEBI:197560 - Rhodobacterioxanthin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Rhodobacterioxanthin
ChEBI ID CHEBI:197560
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C42H58O3
Net Charge 0
Average Mass 610.923
Monoisotopic Mass 610.43860
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
SMILES O=C/C(/C=C/C=C(/C=C/C=C(/C=C/CC(OC)(C)C)\C)\C)=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/CC(OC)(C)C)\C)\C)\C
Metabolite of Species Details
Rhodobacter capsulatus (NCBI:txid1061) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
4946318 ChemSpider
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