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CHEBI:16835 - 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid
| Formula | C38H56O4 |
| Net Charge | 0 |
| Average Mass | 576.862 |
| Monoisotopic Mass | 576.41786 |
| 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)/b29-16+,30-18+,31-20+,32-22+,33-24+ |
| InChIKey | YSZSVGFMAJXGMQ-FRICUITQSA-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-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 Relation(s) |
| 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 |