CHEBI:18081 - 3-hexaprenyl-4,5-dihydroxybenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hexaprenyl-4,5-dihydroxybenzoic acid
ChEBI ID CHEBI:18081
Definition A dihydroxybenzoic acid where the hydroxy groups are at the 4- and 5-positions together with a hexaprenyl group at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11798, CHEBI:1509, CHEBI:20027
Supplier Information
Download Molfile XML SDF
Formula C37H54O4
Net Charge 0
Average Mass 562.82226
Monoisotopic Mass 562.40221
InChI InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+
InChIKey VEPICJBQCOUQPI-IRVXXIIISA-N
SMILES CC(C)=CCC\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
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-hexaprenyl-4,5-dihydroxybenzoic acid (CHEBI:18081) has functional parent benzoic acid (CHEBI:30746)
3-hexaprenyl-4,5-dihydroxybenzoic acid (CHEBI:18081) has role mouse metabolite (CHEBI:75771)
3-hexaprenyl-4,5-dihydroxybenzoic acid (CHEBI:18081) is a dihydroxybenzoic acid (CHEBI:23778)
3-hexaprenyl-4,5-dihydroxybenzoic acid (CHEBI:18081) is conjugate acid of 3-hexaprenyl-4,5-dihydroxybenzoate (CHEBI:58373)
Incoming 3-hexaprenyl-4,5-dihydroxybenzoate (CHEBI:58373) is conjugate base of 3-hexaprenyl-4,5-dihydroxybenzoic acid (CHEBI:18081)
IUPAC Name
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid
Synonym Source
3-Hexaprenyl-4,5-dihydroxybenzoate KEGG COMPOUND
Manual Xref Database
C05200 KEGG COMPOUND
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Last Modified
23 December 2018