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CHEBI:84494 - 4-hydroxy-3-all-trans-heptaprenylbenzoic acid

ChEBI IDCHEBI:84494
ChEBI Name4-hydroxy-3-all-trans-heptaprenylbenzoic acid
Stars
ASCII Name4-hydroxy-3-all-trans-heptaprenylbenzoic acid
DefinitionA monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted at position 3 by a heptaprenyl group.
Last Modified2 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC42H62O3
Net Charge0
Average Mass614.955
Monoisotopic Mass614.46990
SMILESCC(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(C(=O)O)ccc1O
InChIInChI=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)/b33-17+,34-19+,35-21+,36-23+,37-25+,38-27+
InChIKeyPEMFGDIFKKXFRG-PYHSYOTJSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-3-all-trans-heptaprenylbenzoic acid (CHEBI:84494) is a monohydroxybenzoic acid (CHEBI:25389)
4-hydroxy-3-all-trans-heptaprenylbenzoic acid (CHEBI:84494) is a olefinic compound (CHEBI:78840)
4-hydroxy-3-all-trans-heptaprenylbenzoic acid (CHEBI:84494) is conjugate acid of 4-hydroxy-3-all-trans-heptaprenylbenzoate (CHEBI:84496)
Incoming Relation(s)
4-hydroxy-3-all-trans-heptaprenylbenzoate (CHEBI:84496) is conjugate base of 4-hydroxy-3-all-trans-heptaprenylbenzoic acid (CHEBI:84494)
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-hydroxybenzoic acid
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