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3-hexaprenyl-4-hydroxy-5-methoxybenzoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_57916

A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate in which the polyprenyl chain contains 6 prenyl units; major species at pH 7.3.

Term info

Label

3-hexaprenyl-4-hydroxy-5-methoxybenzoate

Synonyms
  • 3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxy-5-methoxybenzoate
Subsets

3_STAR

IUPAC NAME
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxy-5-methoxybenzoate [ IUPAC ]

charge

-1

formula

C38H55O4

has obo namespace

chebi_ontology

has related synonym

3-hexaprenyl-4-hydroxy-5-methoxybenzoate anion, 3-hexaprenyl-4-hydroxy-5-methoxybenzoate(1-), 3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate

id

CHEBI:57916

inchi

InChI=1S/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H2,1-8H3,(H,40,41)/p-1/b29-16+,30-18+,31-20+,32-22+,33-24+

inchikey

YSZSVGFMAJXGMQ-FRICUITQSA-M

mass

575.84140

monoisotopicmass

575.41058

smiles

COc1cc(cc(C\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