CHEBI:176288 - Plastoquinone 8

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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 Plastoquinone 8
ChEBI ID CHEBI:176288
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H72O2
Net Charge 0
Average Mass 681.102
Monoisotopic Mass 680.55323
InChI InChI=1S/C48H72O2/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-46-35-47(49)44(10)45(11)48(46)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23-,39-25+,40-27+,41-29+,42-31+,43-33+
InChIKey XNCZYLCBNZVJPV-HADDTEFYSA-N
SMILES O=C1C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)/C)/C)/C)/C)/C)=CC(=O)C(=C1C)C
ChEBI Ontology
Outgoing Plastoquinone 8 (CHEBI:176288) is a prenylquinone (CHEBI:26255)
IUPAC Name
2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione
Manual Xrefs Databases
30776813 ChemSpider
C02061 KEGG COMPOUND
HMDB0030129 HMDB
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