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CHEBI:84446 - 3,4-dihydroxy-5-all-trans-heptaprenylbenzoic acid

Default Structure
ChEBI IDCHEBI:84446
ChEBI Name3,4-dihydroxy-5-all-trans-heptaprenylbenzoic acid
Stars
ASCII Name3,4-dihydroxy-5-all-trans-heptaprenylbenzoic acid
DefinitionA dihydroxybenzoic acid where the hydroxy groups are at the 4- and 5-positions together with a heptaprenyl group at the 3-position.
Last Modified2 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC42H62O4
Net Charge0
Average Mass630.954
Monoisotopic Mass630.46481
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)cc(O)c1O
InChIInChI=1S/C42H62O4/c1-31(2)15-9-16-32(3)17-10-18-33(4)19-11-20-34(5)21-12-22-35(6)23-13-24-36(7)25-14-26-37(8)27-28-38-29-39(42(45)46)30-40(43)41(38)44/h15,17,19,21,23,25,27,29-30,43-44H,9-14,16,18,20,22,24,26,28H2,1-8H3,(H,45,46)/b32-17+,33-19+,34-21+,35-23+,36-25+,37-27+
InChIKeyLIEYLSGXGOXYTD-CTBYCIIYSA-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)
3,4-dihydroxy-5-all-trans-heptaprenylbenzoic acid (CHEBI:84446) is a dihydroxybenzoic acid (CHEBI:23778)
3,4-dihydroxy-5-all-trans-heptaprenylbenzoic acid (CHEBI:84446) is conjugate acid of 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate (CHEBI:84450)
Incoming Relation(s)
3,4-dihydroxy-5-all-trans-heptaprenylbenzoate (CHEBI:84450) is conjugate base of 3,4-dihydroxy-5-all-trans-heptaprenylbenzoic acid (CHEBI:84446)
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]-4,5-dihydroxybenzoic acid
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