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CHEBI:28129 - all-trans-phytofluene

ChEBI IDCHEBI:28129
ChEBI Nameall-trans-phytofluene
Stars
ASCII Nameall-trans-phytofluene
DefinitionThe all-trans-isomer of phytofluene.
Secondary ChEBI IDCHEBI:8192
Last Modified6 February 2014
DownloadsMolfile
FormulaC40H62
Net Charge0
Average Mass542.936
Monoisotopic Mass542.48515
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChIKeyOVSVTCFNLSGAMM-OUOOUFEBSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
all-trans-phytofluene (CHEBI:28129) has role human xenobiotic metabolite (CHEBI:76967)
all-trans-phytofluene (CHEBI:28129) has role plant metabolite (CHEBI:76924)
all-trans-phytofluene (CHEBI:28129) is a phytofluene (CHEBI:26120)
IUPAC Name 
7,8,11,12,7',8'-hexahydro-ψ,ψ-carotene
Synonyms  Source
PhytoflueneKEGG COMPOUND
7,7',8,8',11,12-hexahydro-ψ,ψ-caroteneChemIDplus
(12E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaeneIUPAC
UniProt Name  Source
all-trans-phytoflueneUniProt
Manual XrefsDatabases
C05414KEGG COMPOUND
CPD-7408MetaCyc
HMDB0002272HMDB
Registry NumbersSources
Reaxys:1730155Reaxys
CAS:540-05-6ChemIDplus
Citations