EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:62796 - 3-decaprenyl-4-hydroxy-5-methoxybenzoate
| Formula | C58H87O4 |
| Net Charge | -1 |
| Average Mass | 848.330 |
| Monoisotopic Mass | 847.66098 |
| 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)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O |
| InChI | InChI=1S/C58H88O4/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58(60)61)43-56(62-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43,59H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3,(H,60,61)/p-1/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+ |
| InChIKey | WCQCNOIKXGNDLX-RDSVHMIISA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-decaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62796) is a 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate (CHEBI:84443) |
| 3-decaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62796) is conjugate base of 3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:50776) |
| Incoming Relation(s) |
| 3-decaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:50776) is conjugate acid of 3-decaprenyl-4-hydroxy-5-methoxybenzoate (CHEBI:62796) |
| IUPAC Name |
|---|
| 3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxy-5-methoxybenzoate |
| Synonyms | Source |
|---|---|
| all-trans-3-decaprenyl-4-hydroxy-5-methoxybenzoate | ChEBI |
| 3-methoxy-4-hydroxy-5-decaprenylbenzoate | ChEBI |
| 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate | ChEBI |
| all-trans-4-hydroxy-3-methoxy-5-decaprenylbenzoate | ChEBI |
| 4-hydroxy-3-methoxy-5-decaprenylbenzoate | ChEBI |
| UniProt Name | Source |
|---|---|
| 4-hydroxy-3-methoxy-5-(all-trans-decaprenyl)benzoate | UniProt |