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

ChEBI IDCHEBI:84492
ChEBI Name4-hydroxy-3-all-trans-hexaprenylbenzoate
Stars
ASCII Name4-hydroxy-3-all-trans-hexaprenylbenzoate
DefinitionA 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 6 prenyl units; major species at pH 7.3.
Last Modified25 September 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC37H53O3
Net Charge-1
Average Mass545.828
Monoisotopic Mass545.40002
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)[O-])ccc1O
InChIInChI=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+
InChIKeyLKMQQQABIGIHGL-LAAQXVIISA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
4-hydroxy-3-(all-trans-hexaprenyl)benzoateUniProt
Manual XrefsDatabases
3-HEXAPRENYL-4-HYDROXYBENZOATEMetaCyc