Structure Database (LMSD)

OH
Common Name
1-OH-3',4'-Didehydrolycopene
Systematic Name
3',4'-Didehydro-1,2-dihydro-psi,psi-caroten-1-ol
Synonyms
  • 3',4'-Dehydrorhodopin
  • 1'-Hydroxy-3,4-didehydrolycopene
LM ID
LMPR01070177
Formula
Exact Mass
Calculate m/z
552.433115
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
SBVLKWMQRFTYPE-WRNKADOOSA-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/h11-17,19-30,41H,18,31-32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILES (Click to copy)
CC(C)(O)CCC/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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cereibacter sphaeroides (#1063)
Alphaproteobacteria (#28211)
Purification and biochemical characterization of a hydroxyneurosporene desaturase involved in the biosynthetic pathway of the carotenoid spheroidene in Rhodobacter sphaeroides.,
J Bacteriol, 1997
Pubmed ID: 9393712
Cereibacter sphaeroides (#1063)
Alphaproteobacteria (#28211)
Purification and biochemical characterization of a hydroxyneurosporene desaturase involved in the biosynthetic pathway of the carotenoid spheroidene in Rhodobacter sphaeroides.,
J Bacteriol, 1997
Pubmed ID: 9393712

Other Databases

LIPIDBANK ID
VCA1095
PubChem CID
Carotenoid ID
PDB ID

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
5th Oct 2022