CHEBI:50775 - 3-decaprenyl-4,5-dihydroxybenzoic acid

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ChEBI Name 3-decaprenyl-4,5-dihydroxybenzoic acid
ChEBI ID CHEBI:50775
Definition A dihydroxybenzoic acid that is 3,4-dihydroxybenzoic acid in which the hydrogen at position 5 is substituted by a decaprenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C57H86O4
Net Charge 0
Average Mass 835.29034
Monoisotopic Mass 834.65261
InChI InChI=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)/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+
InChIKey HGWUGDIATLOPBN-BHZQGFRMSA-N
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(cc(O)c1O)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 3-decaprenyl-4,5-dihydroxybenzoic acid (CHEBI:50775) has role human metabolite (CHEBI:77746)
3-decaprenyl-4,5-dihydroxybenzoic acid (CHEBI:50775) is a catechols (CHEBI:33566)
3-decaprenyl-4,5-dihydroxybenzoic acid (CHEBI:50775) is a dihydroxybenzoic acid (CHEBI:23778)
3-decaprenyl-4,5-dihydroxybenzoic acid (CHEBI:50775) is conjugate acid of 3-decaprenyl-4,5-dihydroxybenzoate (CHEBI:62793)
Incoming 3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:50776) has functional parent 3-decaprenyl-4,5-dihydroxybenzoic acid (CHEBI:50775)
3-decaprenyl-4,5-dihydroxybenzoate (CHEBI:62793) is conjugate base of 3-decaprenyl-4,5-dihydroxybenzoic acid (CHEBI:50775)
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]-4,5-dihydroxybenzoic acid
Synonyms Sources
3,4-dihydroxy-5-decaprenylbenzoic acid ChEBI
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-dihydroxybenzoic acid ChEBI
all-trans-3,4-dihydroxy-5-decaprenylbenzoic acid ChEBI
all-trans-3-decaprenyl-4,5-dihydroxybenzoic acid ChEBI
Manual Xref Database
LMPR02010034 LIPID MAPS
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Last Modified
10 March 2014