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CHEBI:31116 - 3-hexaprenyl-4-hydroxybenzoic acid
| Formula | C37H54O3 |
| Net Charge | 0 |
| Average Mass | 546.836 |
| Monoisotopic Mass | 546.40730 |
| 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)ccc1O |
| InChI | InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+ |
| InChIKey | LKMQQQABIGIHGL-LAAQXVIISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| 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 Roles: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) has role mouse metabolite (CHEBI:75771) |
| 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) is a monohydroxybenzoic acid (CHEBI:25389) |
| 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) is conjugate acid of 4-hydroxy-3-all-trans-hexaprenylbenzoate (CHEBI:84492) |
| Incoming Relation(s) |
| 4-hydroxy-3-all-trans-hexaprenylbenzoate (CHEBI:84492) is conjugate base of 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) |
| 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-hydroxybenzoic acid |
| Synonyms | Source |
|---|---|
| (all-E)-3-(3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid | ChemIDplus |
| all-trans-3-(3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid | ChEBI |
| 3-Hexaprenyl-4-hydroxybenzoic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C13425 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| CAS:65848-03-5 | ChemIDplus |