EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:50775
ChEBI Name3-decaprenyl-4,5-dihydroxybenzoic acid
Stars
DefinitionA dihydroxybenzoic acid that is 3,4-dihydroxybenzoic acid in which the hydrogen at position 5 is substituted by a decaprenyl group.
Last Modified10 March 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC57H86O4
Net Charge0
Average Mass835.311
Monoisotopic Mass834.65261
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)/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+
InChIKeyHGWUGDIATLOPBN-BHZQGFRMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
3,4-dihydroxy-5-decaprenylbenzoic acidChEBI
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 acidChEBI
all-trans-3-decaprenyl-4,5-dihydroxybenzoic acidChEBI
all-trans-3,4-dihydroxy-5-decaprenylbenzoic acidChEBI
Manual XrefsDatabases
LMPR02010034LIPID MAPS