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CHEBI:45249 - 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE

Default Structure
ChEBI IDCHEBI:45249
ChEBI Name5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC43H64O2
Net Charge0
Average Mass612.983
Monoisotopic Mass612.49063
SMILES[H]C1=C(C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])/C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(=O)C(C([H])([H])[H])=C(C([H])([H])[H])C1=O
InChIInChI=1S/C43H64O2/c1-32(2)17-11-18-33(3)19-12-20-34(4)21-13-22-35(5)23-14-24-36(6)25-15-26-37(7)27-16-28-38(8)29-30-41-31-42(44)39(9)40(10)43(41)45/h17,19,21,23,25,27,29,31H,11-16,18,20,22,24,26,28,30H2,1-10H3/b33-19-,34-21-,35-23-,36-25-,37-27-,38-29-
InChIKeyJXUCGUASMMLSBH-ZPGVQFINSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE (CHEBI:45249) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-2,3-dimethylcyclohexa-2,5-diene-1,4-dionePDBeChem
5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONEPDBeChem
Manual XrefsDatabases
PQ9PDBeChem