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Carotenoids DB: CA00948
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Entry
CA00948
Classification
C40 carotenoids including C40 originated apocarotenoids and intermediates
1.2 beta,psi Carotene
 
C40 Hydroxycarotenoids
Carotenoid Name
Gazaniaxanthin;
(5'Z)-Rubixanthin
IUPAC name
(3R,5'Z)-beta,psi-Caroten-3-ol
Formula
C40H56O
Molecular Weight
552.848 g/mol
Structure
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Mol file
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(3R)
,
5'Z
,
3-OH
,
beta,psi
( Help )
Biological functions/Properties
Number of
conjugated double bonds
11
Number of
conjugated multiple bonds
11
Isomers
Cis/trans isomer:
CA00198
InChI
InChIKey
Canonical SMILES
XLogP
12.575
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
1
LipinskiFailures
2
Complexity of molecule
0.062
Number of heavy atoms
41
TPSA
(Topological Polar Surface Area)
20.230 Å
2
Reaction
Pathway
Pathway:
CB000134
Major carotenoid information
Minor carotenoid information
Source organisms
Rosa mosqueta
(Ref.198) -
Land plant: Rosaceae: rose hips (Streptophyta - Rosaceae)
References
Ref.198: Hornero-Mendez, D.; Minguez-Mosquera, M. I., Journal of Agricultural and Food Chemistry (2000), 48(3), 825-828., "Carotenoid Pigments in Rosa mosqueta Hips, an Alternative Carotenoid Source for Foods".
CAS
19603-65-7
Links to other DB
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