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

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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 No supplier information found for this compound.
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-hexaprenyl)benzoate UniProt
Manual Xref Database
3-HEXAPRENYL-4-HYDROXYBENZOATE MetaCyc
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Last Modified
25 September 2024