CHEBI:84450 - 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate

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ChEBI Name 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate ChEBI ID CHEBI:84450 ChEBI ASCII Name 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate Definition A 3,4-dihydroxy-5-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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C42H61O4 Net Charge -1 Average Mass 629.93190 Monoisotopic Mass 629.45753 InChI InChI=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)/p-1/b32-17+,33-19+,34-21+,35-23+,36-25+,37-27+ InChIKey LIEYLSGXGOXYTD-CTBYCIIYSA-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(cc(O)c1O)C([O-])=O ChEBI Ontology Outgoing 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate (CHEBI:84450) is a 3,4-dihydroxy-5-polyprenylbenzoate (CHEBI:64694) 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate (CHEBI:84450) is conjugate base of 3,4-dihydroxy-5-all-trans-heptaprenylbenzoic acid (CHEBI:84446) Incoming 3,4-dihydroxy-5-all-trans-heptaprenylbenzoic acid (CHEBI:84446) is conjugate acid of 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate (CHEBI:84450) 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-dihydroxybenzoate Synonyms Sources 3,4-dihydroxy-5-(all-trans-heptaprenyl)benzoate UniProt 3-all-trans-hexaprenyl-4,5-dihydroxybenzoate SUBMITTER Manual Xref Database CPD-9903 MetaCyc View more database links Last Modified 25 September 2024