Structure Database (LMSD)

Common Name
Phytofluene
Systematic Name
(15Z)-7,8,11,12,7',8'-Hexahydro-psi,psi-carotene
Synonyms
  • (15Z)-Phytofluene
  • 15-cis-Phytofluene
  • Hexahydrolycopene
LM ID
LMPR01070410
Formula
C40H62
Exact Mass
Calculate m/z
542.48515
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

References

Comments
Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Blastochloris viridis (#1079)
Alphaproteobacteria (#28211)
A novel series of 1,2-dihydro carotenoids.,
Int Z Vitaminforsch, 1970
Pubmed ID: 5450993
Halobacterium salinarum (#2242)
Halobacteria (#183963)
Isolation and identification of dehydrosqualene and C 40 -carotenoid pigments in Halobacterium cutirubrum.,
Biochim Biophys Acta, 1972
Pubmed ID: 5038263
Averrhoa carambola (#28974)
Magnoliopsida (#3398)
Carotenoids of the fruit of Averrhoa carambola,
Phytochemistry, 1983

String Representations

InChiKey (Click to copy)
OVSVTCFNLSGAMM-DGFSHVNOSA-N
InChi (Click to copy)
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+
SMILES (Click to copy)
C(=C(/C)\CC/C=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)/CC/C=C(/C)\C

Other Databases

CHEBI ID
35165
PubChem CID
6857557
Carotenoid ID
CA00057

Calculated Physicochemical Properties

Heavy Atoms 40
Rings
Aromatic Rings
Rotatable Bonds 19
Van der Waals Molecular Volume 674.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 13.61
Molar Refractivity 185.85

Admin

Created at
17th Nov 2021
Updated at
22nd Nov 2021