CHEBI:62788 - 3-nonaprenyl-4,5-dihydroxybenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-nonaprenyl-4,5-dihydroxybenzoic acid
ChEBI ID CHEBI:62788
Definition A dihydroxybenzoic acid that is 3,4-dihydroxybenzoic acid in which the hydrogen at position 5 is substituted by a nonaprenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C52H78O4
Net Charge 0
Average Mass 767.17330
Monoisotopic Mass 766.59001
InChI InChI=1S/C52H78O4/c1-39(2)19-11-20-40(3)21-12-22-41(4)23-13-24-42(5)25-14-26-43(6)27-15-28-44(7)29-16-30-45(8)31-17-32-46(9)33-18-34-47(10)35-36-48-37-49(52(55)56)38-50(53)51(48)54/h19,21,23,25,27,29,31,33,35,37-38,53-54H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,55,56)/b40-21+,41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+
InChIKey FMSCZYMOUYOENK-OPSRSWOASA-N
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\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-nonaprenyl-4,5-dihydroxybenzoic acid (CHEBI:62788) is a catechols (CHEBI:33566)
3-nonaprenyl-4,5-dihydroxybenzoic acid (CHEBI:62788) is a dihydroxybenzoic acid (CHEBI:23778)
3-nonaprenyl-4,5-dihydroxybenzoic acid (CHEBI:62788) is conjugate acid of 3-nonaprenyl-4,5-dihydroxybenzoate (CHEBI:62789)
Incoming 3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid (CHEBI:62790) has functional parent 3-nonaprenyl-4,5-dihydroxybenzoic acid (CHEBI:62788)
3-nonaprenyl-4,5-dihydroxybenzoate (CHEBI:62789) is conjugate base of 3-nonaprenyl-4,5-dihydroxybenzoic acid (CHEBI:62788)
IUPAC Name
3,4-dihydroxy-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzoic acid
Synonyms Sources
3,4-dihydroxy-5-nonaprenylbenzoic acid ChEBI
3-(3,7,11,15,19,23,27,31,35-nonamethyltetracosa-2,6,10,14,18,22,26,30,34-nonaenyl)-4,5-dihydroxybenzoic acid MetaCyc
all-trans-3,4-dihydroxy-5-nonaprenylbenzoic acid ChEBI
all-trans-3-nonaprenyl-4,5-dihydroxybenzoic acid ChEBI
Manual Xref Database
CPD-9896 MetaCyc
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Last Modified
23 August 2011