CHEBI:16835 - 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid

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ChEBI Name 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid
ChEBI ID CHEBI:16835
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11799, CHEBI:1510, CHEBI:20028
Supplier Information ZINC000001530092
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Formulae C38H56O4
C38H56O4
Net Charge 0
Average Mass 576.84880
Monoisotopic Mass 576.41786
InChI InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/b29-16+,30-18+,31-20+,32-22+,33-24+
InChIKey YSZSVGFMAJXGMQ-FRICUITQSA-N
SMILES COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)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-hydroxy-5-methoxybenzoic acid (CHEBI:16835) has functional parent benzoic acid (CHEBI:30746)
3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:16835) has role mouse metabolite (CHEBI:75771)
3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:16835) is a methoxybenzoic acid (CHEBI:25238)
3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:16835) is a monohydroxybenzoic acid (CHEBI:25389)
3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:16835) is conjugate acid of 3-hexaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:57916)
Incoming 3-hexaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:57916) is conjugate base of 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:16835)
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-hydroxy-5-methoxybenzoic acid
Synonym Source
3-Hexaprenyl-4-hydroxy-5-methoxybenzoate KEGG COMPOUND
Manual Xref Database
C05313 KEGG COMPOUND
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Last Modified
09 December 2024