CHEBI:183116 - 2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinone

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ChEBI Name 2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinone
ChEBI ID CHEBI:183116
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H80O3
Net Charge 0
Average Mass 765.220
Monoisotopic Mass 764.61075
InChI InChI=1S/C53H80O3/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-50-49(11)51(54)39-52(56-12)53(50)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+
InChIKey XLPIHYMHOSPCOZ-IQSNHBBHSA-N
SMILES O(C=1C(=O)C(C\C=C(\CC\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)/C)=C(C(=O)C1)C)C
Metabolite of Species Details
Trypanosoma brucei (NCBI:txid5691) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinone (CHEBI:183116) is a 2-methoxy-5-methyl-6-all-trans-polyprenylbenzoquinone (CHEBI:231829)
IUPAC Name
5-methoxy-2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione
Synonym Source
2-methoxy-5-methyl-6-all-trans-nonaprenyl-1,4-benzoquinone UniProt
Manual Xref Database
4952829 ChemSpider
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Registry Number Type Source
7200-28-4 CAS Registry Number ChemIDplus
Last Modified
29 August 2024