CHEBI:61473 - all-trans-5-methoxy-2-methyl-3-hexaprenylhydroquinone

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ChEBI Name all-trans-5-methoxy-2-methyl-3-hexaprenylhydroquinone
ChEBI ID CHEBI:61473
ChEBI ASCII Name all-trans-5-methoxy-2-methyl-3-hexaprenylhydroquinone
Definition A polyprenylhydroquinone in which the polyprenyl substituent is hexaprenyl at C-3; methoxy and methyl groups are also present at C-5 and C-2 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information ChemicalBook:CB5293753, eMolecules:501591, ZINC000000391812
Download Molfile XML SDF
Formula C38H58O3
Net Charge 0
Average Mass 562.86530
Monoisotopic Mass 562.43860
InChI InChI=1S/C38H58O3/c1-28(2)15-10-16-29(3)17-11-18-30(4)19-12-20-31(5)21-13-22-32(6)23-14-24-33(7)25-26-35-34(8)36(39)27-37(41-9)38(35)40/h15,17,19,21,23,25,27,39-40H,10-14,16,18,20,22,24,26H2,1-9H3/b29-17+,30-19+,31-21+,32-23+,33-25+
InChIKey ATQQULXELMEJIX-NSUIJKAQSA-N
SMILES COc1cc(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O
ChEBI Ontology
Outgoing all-trans-5-methoxy-2-methyl-3-hexaprenylhydroquinone (CHEBI:61473) is a 2-methoxy-5-methyl-6-all-trans-polyprenylhydroquinone (CHEBI:84167)
all-trans-5-methoxy-2-methyl-3-hexaprenylhydroquinone (CHEBI:61473) is a hydroquinones (CHEBI:24646)
all-trans-5-methoxy-2-methyl-3-hexaprenylhydroquinone (CHEBI:61473) is a polyprenylhydroquinone (CHEBI:26253)
IUPAC Name
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5-methoxy-2-methylbenzene-1,4-diol
Synonyms Sources
2-hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinol ChEBI
3-hexaprenyl-2-methyl-5-methoxy-1,4-benzoquinol ChEBI
5-methoxy-2-methyl-3-(all-trans-hexaprenyl)benzene-1,4-diol UniProt
5-methoxy-2-methyl-3-hexaprenylhydroquinone ChEBI
5-methoxy-2-methyl-3-hexaprenylquinol ChEBI
6-methoxy-3-methyl-2-hexaprenylhydroquinone ChEBI
6-methoxy-3-methyl-2-hexaprenylquinol ChEBI
Citation Type Source
9045837 PubMed citation SUBMITTER
Last Modified
25 September 2024