Structure Database (LMSD)

Common Name
3,4-Dehydrolycopene
Systematic Name
3,4-Didehydro-psi,psi-carotene
Synonyms
  • 3,4-Didehydrolycopene
LM ID
LMPR01070087
Formula
C40H54
Exact Mass
Calculate m/z
534.42255
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
OCMSUPSDVXKDFY-FQMRBFJQSA-N
InChi (Click to copy)
InChI=1S/C40H54/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/h11-13,15-23,25-32H,14,24H2,1-10H3/b12-11+,23-13+,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(\CC/C=C(\C)/C)/C)/C)\C)\C)\C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Neurospora crassa (#5141)
Sordariomycetes (#147550)
The neutral carotenoids of wild-type and mutant strains of Neurospora crassa.,
Biochem Genet, 1973
Pubmed ID: 4270986

Other Databases

KEGG ID
C15867
CHEBI ID
62474
LIPIDBANK ID
VCA1005
PubChem CID
16061227
Carotenoid ID
CA00042

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 663.60
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.71
Molar Refractivity 185.48

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Created at
-
Updated at
27th Oct 2023