Structure Database (LMSD)

Common Name
1-Hydroxy-3,4-didehydrolycopene
Systematic Name
3,4-Didehydro-1,2-dihydro-psi,psi-caroten-1-ol
Synonyms
  • 3,4-Dehydrorhodopin
  • 3,4-Didehydrorhodopin
LM ID
LMPR01070115
Formula
C40H56O
Exact Mass
Calculate m/z
552.433115
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodopseudomonas sp. Rits (#417202)
Alphaproteobacteria (#28211)
Identification of 3,4-didehydrorhodopin as major carotenoid in Rhodopseudomonas species.,
Photochem Photobiol Sci, 2008
Pubmed ID: 18385894

String Representations

InChiKey (Click to copy)
YNXUITAACINYQG-VWQKURAKSA-N
InChi (Click to copy)
InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-21,23-31,41H,13,22,32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILES (Click to copy)
C(/CC(C)(C)O)=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

Other Databases

KEGG ID
C15874
CHEBI ID
62481
LIPIDBANK ID
VCA1033
PubChem CID
16061249
Carotenoid ID
CA00070

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 675.03
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 12.20
Molar Refractivity 187.47

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Created at
-
Updated at
27th Oct 2023