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CHEBI:84516 - 3-(all-trans-heptaprenyl)benzene-1,2-diol

ChEBI IDCHEBI:84516
ChEBI Name3-(all-trans-heptaprenyl)benzene-1,2-diol
Stars
ASCII Name3-(all-trans-heptaprenyl)benzene-1,2-diol
DefinitionA 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-heptaprenyl moiety.
Last Modified7 April 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC41H62O2
Net Charge0
Average Mass586.945
Monoisotopic Mass586.47498
SMILESCC(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/Cc1cccc(O)c1O
InChIInChI=1S/C41H62O2/c1-32(2)16-9-17-33(3)18-10-19-34(4)20-11-21-35(5)22-12-23-36(6)24-13-25-37(7)26-14-27-38(8)30-31-39-28-15-29-40(42)41(39)43/h15-16,18,20,22,24,26,28-30,42-43H,9-14,17,19,21,23,25,27,31H2,1-8H3/b33-18+,34-20+,35-22+,36-24+,37-26+,38-30+
InChIKeyOOYKEXOZUBWOSX-NFDZFSPWSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(all-trans-heptaprenyl)benzene-1,2-diol (CHEBI:84516) is a 3-(all-trans-polyprenyl)benzene-1,2-diol (CHEBI:62729)
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]benzene-1,2-diol
Synonym  Source
2-heptaprenyl-6-hydroxyphenolMetaCyc
UniProt Name  Source
3-(all-trans-heptaprenyl)benzene-1,2-diolUniProt
Manual XrefsDatabases
CPD-9854MetaCyc