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CHEBI:18081 - 3-hexaprenyl-4,5-dihydroxybenzoic acid
| Formula | C37H54O4 |
| Net Charge | 0 |
| Average Mass | 562.835 |
| Monoisotopic Mass | 562.40221 |
| SMILES | CC(C)=CCC/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 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 |