EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:57916 - 3-hexaprenyl-4-hydroxy-5-methoxybenzoate
| Formula | C38H55O4 |
| Net Charge | -1 |
| Average Mass | 575.854 |
| Monoisotopic Mass | 575.41058 |
| SMILES | COc1cc(C(=O)[O-])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 |
| 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)/p-1/b29-16+,30-18+,31-20+,32-22+,33-24+ |
| InChIKey | YSZSVGFMAJXGMQ-FRICUITQSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Biological Role: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hexaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:57916) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| 3-hexaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:57916) is a 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate (CHEBI:84443) |
| 3-hexaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:57916) is conjugate base of 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:16835) |
| Incoming Relation(s) |
| 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:16835) is conjugate acid of 3-hexaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:57916) |
| 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-methoxybenzoate |
| Synonyms | Source |
|---|---|
| 3-hexaprenyl-4-hydroxy-5-methoxybenzoate anion | ChEBI |
| 3-hexaprenyl-4-hydroxy-5-methoxybenzoate(1−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 4-hydroxy-3-methoxy-5-(all-trans-hexaprenyl)benzoate | UniProt |