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

ChEBI IDCHEBI:84456
ChEBI Name3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate
Stars
ASCII Name3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate
DefinitionA 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate in which the polyprenyl component is specified as octaprenyl.
Last Modified25 September 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC48H71O4
Net Charge-1
Average Mass712.092
Monoisotopic Mass711.53578
SMILESCOc1cc(C(=O)[O-])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
InChIInChI=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+
InChIKeyDZWHYPVPTJPQQX-MYCGWMCTSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
3-all-trans-hexaprenyl-4-hydroxy-5-methoxybenzoateSUBMITTER
UniProt Name  Source
4-hydroxy-3-methoxy-5-(all-trans-octaprenyl)benzoateUniProt
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