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
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

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 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 674.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.61
Molar Refractivity 185.85

Admin

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