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CHEBI:62789 - 3-nonaprenyl-4,5-dihydroxybenzoate

ChEBI IDCHEBI:62789
ChEBI Name3-nonaprenyl-4,5-dihydroxybenzoate
Stars
DefinitionA 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 9 prenyl units; major species at pH 7.3.
Last Modified25 September 2024
SubmitterGareth Owen
DownloadsMolfile
FormulaC52H77O4
Net Charge-1
Average Mass766.184
Monoisotopic Mass765.58273
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)[O-])cc(O)c1O
InChIInChI=1S/C52H78O4/c1-39(2)19-11-20-40(3)21-12-22-41(4)23-13-24-42(5)25-14-26-43(6)27-15-28-44(7)29-16-30-45(8)31-17-32-46(9)33-18-34-47(10)35-36-48-37-49(52(55)56)38-50(53)51(48)54/h19,21,23,25,27,29,31,33,35,37-38,53-54H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,55,56)/p-1/b40-21+,41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+
InChIKeyFMSCZYMOUYOENK-OPSRSWOASA-M
ChEBI Ontology
Outgoing Relation(s)
3-nonaprenyl-4,5-dihydroxybenzoate (CHEBI:62789) is a 3,4-dihydroxy-5-polyprenylbenzoate (CHEBI:64694)
3-nonaprenyl-4,5-dihydroxybenzoate (CHEBI:62789) is conjugate base of 3-nonaprenyl-4,5-dihydroxybenzoic acid (CHEBI:62788)
Incoming Relation(s)
3-nonaprenyl-4,5-dihydroxybenzoic acid (CHEBI:62788) is conjugate acid of 3-nonaprenyl-4,5-dihydroxybenzoate (CHEBI:62789)
IUPAC Name 
3,4-dihydroxy-5-[(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-nonaen-1-yl]benzoate
Synonyms  Source
3,4-dihydroxy-5-nonaprenylbenzoateChEBI
all-trans-3-nonaprenyl-4,5-dihydroxybenzoateChEBI
all-trans-3,4-dihydroxy-5-nonaprenylbenzoateChEBI
UniProt Name  Source
3,4-dihydroxy-5-(all-trans-nonaprenyl)benzoateUniProt
Manual XrefsDatabases
CPD-9896MetaCyc