Structure Database (LMSD)

Common Name
Bisdehydrolycopene
Systematic Name
3,4,3',4'-Tetradehydro-psi,psi-carotene
Synonyms
  • Tetradehydrolycopene
LM ID
LMPR01070127
Formula
C40H52
Exact Mass
Calculate m/z
532.4069
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pantoea ananatis (#553)
Gammaproteobacteria (#1236)
On the structure and function of the phytoene desaturase CRTI from Pantoea ananatis, a membrane-peripheral and FAD-dependent oxidase/isomerase.,
PLoS One, 2012
Pubmed ID: 22745782

String Representations

InChiKey (Click to copy)
VKICVXOZINUTEB-YLKQRWOGSA-N
InChi (Click to copy)
InChI=1S/C40H52/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/h11-32H,1-10H3/b12-11+,23-13+,24-14+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES (Click to copy)
C(/C=C(/C)\C)=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(\C=C\C=C(/C)\C)/C)/C)\C)\C)\C

Other Databases

CHEBI ID
178729
LIPIDBANK ID
VCA1045
PubChem CID
11856525
Carotenoid ID
CA00068

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 660.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.49
Molar Refractivity 185.38

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Created at
-
Updated at
2nd Nov 2021