CHEBI:84496 - 4-hydroxy-3-all-trans-heptaprenylbenzoate

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ChEBI Name 4-hydroxy-3-all-trans-heptaprenylbenzoate
ChEBI ID CHEBI:84496
ChEBI ASCII Name 4-hydroxy-3-all-trans-heptaprenylbenzoate
Definition A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 7 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 C42H61O3
Net Charge -1
Average Mass 613.93250
Monoisotopic Mass 613.46262
InChI InChI=1S/C42H62O3/c1-32(2)15-9-16-33(3)17-10-18-34(4)19-11-20-35(5)21-12-22-36(6)23-13-24-37(7)25-14-26-38(8)27-28-39-31-40(42(44)45)29-30-41(39)43/h15,17,19,21,23,25,27,29-31,43H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,44,45)/p-1/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+
InChIKey PEMFGDIFKKXFRG-PYHSYOTJSA-M
SMILES CC(C)=CCC\C(C)=C\CC\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-heptaprenylbenzoate (CHEBI:84496) is a 4-hydroxy-3-polyprenylbenzoate (CHEBI:78396)
4-hydroxy-3-all-trans-heptaprenylbenzoate (CHEBI:84496) is conjugate base of 4-hydroxy-3-all-trans-heptaprenylbenzoic acid (CHEBI:84494)
Incoming 4-hydroxy-3-all-trans-heptaprenylbenzoic acid (CHEBI:84494) is conjugate acid of 4-hydroxy-3-all-trans-heptaprenylbenzoate (CHEBI:84496)
IUPAC Name
3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-4-hydroxybenzoate
Synonym Source
4-hydroxy-3-all-trans-heptaprenylbenzoate UniProt
Manual Xref Database
CPD-9852 MetaCyc
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Last Modified
09 March 2017