3,4-dihydroxy-5-all-trans-decaprenylbenzoate

3,4-dihydroxy-5-<i>all-trans</i>-decaprenylbenzoate




Chemical Formula:
C57H85O4
Molecular Weight:
834.296 Daltons
Monoisotopic Mass:
834.652611249 Daltons
SMILES:
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C)C)C)C)C
InChI:
1S/C57H86O4/c1-43(2)21-12-22-44(3)23-13-24-45(4)25-14-26-46(5)27-15-28-47(6)29-16-30-48(7)31-17-32-49(8)33-18-34-50(9)35-19-36-51(10)37-20-38-52(11)39-40-53-41-54(57(60)61)42-55(58)56(53)59/h21,23,25,27,29,31,33,35,37,39,41-42,58-59H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,60,61)/p-1/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+
InChIKey:
HGWUGDIATLOPBN-BHZQGFRMSA-M

Synonyms
  • 3-(3,7,11,15,19,23-decamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
  • 3-decaprenyl-4,5-dihydroxybenzoate

Databases
MetaCyc:  CPD-9895
ChEBI:  62793
PubChem (CID):  54738022
Reactome:  2162209
Seed:  cpd25894
MetaNetX:  MNXM4984