CHEBI:84492 - 4-hydroxy-3-all-trans-hexaprenylbenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxy-3-all-trans-hexaprenylbenzoate
ChEBI ID CHEBI:84492
ChEBI ASCII Name 4-hydroxy-3-all-trans-hexaprenylbenzoate
Definition A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 6 prenyl units; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C37H53O3
Net Charge -1
Average Mass 545.81550
Monoisotopic Mass 545.40002
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)/p-1/b29-15+,30-17+,31-19+,32-21+,33-23+
InChIKey LKMQQQABIGIHGL-LAAQXVIISA-M
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C([O-])=O
ChEBI Ontology
Outgoing 4-hydroxy-3-all-trans-hexaprenylbenzoate (CHEBI:84492) is a 4-hydroxy-3-polyprenylbenzoate (CHEBI:78396)
4-hydroxy-3-all-trans-hexaprenylbenzoate (CHEBI:84492) is conjugate base of 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116)
Incoming 3-hexaprenyl-4-hydroxybenzoic acid (CHEBI:31116) is conjugate acid of 4-hydroxy-3-all-trans-hexaprenylbenzoate (CHEBI:84492)
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-hydroxybenzoate
Synonym Source
4-hydroxy-3-all-trans-hexaprenylbenzoate UniProt
Manual Xref Database
3-HEXAPRENYL-4-HYDROXYBENZOATE MetaCyc
View more database links
Last Modified
09 March 2017