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CHEBI:62793 - 3-decaprenyl-4,5-dihydroxybenzoate

ChEBI IDCHEBI:62793
ChEBI Name3-decaprenyl-4,5-dihydroxybenzoate
Stars
DefinitionA 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 10 prenyl units; major species at pH 7.3.
Last Modified25 September 2024
SubmitterGareth Owen
DownloadsMolfile
FormulaC57H85O4
Net Charge-1
Average Mass834.303
Monoisotopic Mass833.64533
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/CC/C(C)=C/Cc1cc(C(=O)[O-])cc(O)c1O
InChIInChI=1S/C57H86O4/c1-43(2)21-12-22-44(3)23-13-24-45(4)25-14-26-46(5)27-15-28-47(6)29-16-30-48(7)31-17-32-49(8)33-18-34-50(9)35-19-36-51(10)37-20-38-52(11)39-40-53-41-54(57(60)61)42-55(58)56(53)59/h21,23,25,27,29,31,33,35,37,39,41-42,58-59H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,60,61)/p-1/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+
InChIKeyHGWUGDIATLOPBN-BHZQGFRMSA-M
ChEBI Ontology
Outgoing Relation(s)
3-decaprenyl-4,5-dihydroxybenzoate (CHEBI:62793) is a 3,4-dihydroxy-5-polyprenylbenzoate (CHEBI:64694)
3-decaprenyl-4,5-dihydroxybenzoate (CHEBI:62793) is conjugate base of 3-decaprenyl-4,5-dihydroxybenzoic acid (CHEBI:50775)
Incoming Relation(s)
3-decaprenyl-4,5-dihydroxybenzoic acid (CHEBI:50775) is conjugate acid of 3-decaprenyl-4,5-dihydroxybenzoate (CHEBI:62793)
IUPAC Name 
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34EE)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4,5-dihydroxybenzoate
Synonyms  Source
all-trans-3,4-dihydroxy-5-decaprenylbenzoateChEBI
3,4-dihydroxy-5-decaprenylbenzoateChEBI
all-trans-3-decaprenyl-4,5-dihydroxybenzoateChEBI
3-(3,7,11,15,19,23,27,31,35,39-decamethyltetracosa-2,6,10,14,18,22,26,30,34,38-decaenyl)-4,5-dihydroxybenzoateChEBI
UniProt Name  Source
3,4-dihydroxy-5-(all-trans-decaprenyl)benzoateUniProt