CHEBI:84503 - 4-hydroxy-3-all-trans-decaprenylbenzoate

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ChEBI Name 4-hydroxy-3-all-trans-decaprenylbenzoate
ChEBI ID CHEBI:84503
ChEBI ASCII Name 4-hydroxy-3-all-trans-decaprenylbenzoate
Definition A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 10 prenyl units; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C57H85O3
Net Charge -1
Average Mass 818.28350
Monoisotopic Mass 817.65042
InChI InChI=1S/C57H86O3/c1-44(2)21-12-22-45(3)23-13-24-46(4)25-14-26-47(5)27-15-28-48(6)29-16-30-49(7)31-17-32-50(8)33-18-34-51(9)35-19-36-52(10)37-20-38-53(11)39-40-54-43-55(57(59)60)41-42-56(54)58/h21,23,25,27,29,31,33,35,37,39,41-43,58H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,59,60)/p-1/b45-23+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+
InChIKey CMPNJZREBHCPHN-LTNIBBDRSA-M
SMILES CC(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(ccc1O)C([O-])=O
ChEBI Ontology
Outgoing 4-hydroxy-3-all-trans-decaprenylbenzoate (CHEBI:84503) is a 4-hydroxy-3-polyprenylbenzoate (CHEBI:78396)
4-hydroxy-3-all-trans-decaprenylbenzoate (CHEBI:84503) is conjugate base of 4-hydroxy-3-all-trans-decaprenylbenzoic acid (CHEBI:64136)
Incoming 4-hydroxy-3-all-trans-decaprenylbenzoic acid (CHEBI:64136) is conjugate acid of 4-hydroxy-3-all-trans-decaprenylbenzoate (CHEBI:84503)
IUPAC Name
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-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-hydroxybenzoate
Synonym Source
4-hydroxy-3-all-trans-decaprenylbenzoate UniProt
Manual Xref Database
CPD-9864 MetaCyc
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Last Modified
09 March 2017