CHEBI:28129 - all-trans-phytofluene

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ChEBI Name all-trans-phytofluene
ChEBI ID CHEBI:28129
ChEBI ASCII Name all-trans-phytofluene
Definition The all-trans-isomer of phytofluene.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8192
Supplier Information
Download Molfile XML SDF
Formula C40H62
Net Charge 0
Average Mass 542.92028
Monoisotopic Mass 542.48515
InChI InChI=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+
InChIKey OVSVTCFNLSGAMM-OUOOUFEBSA-N
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(12E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene IUPAC
7,7',8,8',11,12-hexahydro-ψ,ψ-carotene ChemIDplus
all-trans-phytofluene UniProt
Phytofluene KEGG COMPOUND
Manual Xrefs Databases
C05414 KEGG COMPOUND
CPD-7408 MetaCyc
HMDB0002272 HMDB
View more database links
Registry Numbers Types Sources
1730155 Beilstein Registry Number Beilstein
1730155 Reaxys Registry Number Reaxys
540-05-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1396714 PubMed citation Europe PMC
22622065 PubMed citation Europe PMC
23411252 PubMed citation Europe PMC
Last Modified
06 February 2014