CHEBI:84456 - 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate

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ChEBI Name 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate
ChEBI ID CHEBI:84456
ChEBI ASCII Name 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate
Definition A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate in which the polyprenyl component is specified as octaprenyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C48H71O4
Net Charge -1
Average Mass 712.07550
Monoisotopic Mass 711.53578
InChI InChI=1S/C48H72O4/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48(50)51)35-46(52-10)47(44)49/h18,20,22,24,26,28,30,32,34-35,49H,11-17,19,21,23,25,27,29,31,33H2,1-10H3,(H,50,51)/p-1/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-32+
InChIKey DZWHYPVPTJPQQX-MYCGWMCTSA-M
SMILES COc1cc(cc(C\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)CCC=C(C)C)c1O)C([O-])=O
ChEBI Ontology
Outgoing 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate (CHEBI:84456) is a 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate (CHEBI:84443)
3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate (CHEBI:84456) is conjugate base of 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoic acid (CHEBI:84455)
Incoming 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoic acid (CHEBI:84455) is conjugate acid of 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate (CHEBI:84456)
IUPAC Name
4-hydroxy-3-methoxy-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoate
Synonyms Sources
3-all-trans-hexaprenyl-4-hydroxy-5-methoxybenzoate SUBMITTER
4-hydroxy-3-methoxy-5-(all-trans-octaprenyl)benzoate UniProt
Manual Xref Database
CPD-9899 MetaCyc
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Last Modified
25 September 2024