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Carotenoids DB: CA00383
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Entry
CA00383
Classification
C40 carotenoids including C40 originated apocarotenoids and intermediates
2.1 beta,beta Carotene
 
C40 Hydroxycarotenoids
Carotenoid Name
Thermocryptoxanthin-11;
Cryptoxanthin glucoside ester
IUPAC name
(3R)-3-[(6-O-8-Methylnonanoyl-b-D-glucopyranosyl)oxy]-beta,beta-carotene
Formula
C57H86O7
Molecular Weight
883.258 g/mol
Structure
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Mol file
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(3R)
,
beta,beta
,
3-b-Glc-8-methylnonanoyl
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Biological functions/Properties
Number of
conjugated double bonds
11
Number of
conjugated multiple bonds
11
Isomers
InChI
InChIKey
Canonical SMILES
XLogP
16.596
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
7
LipinskiFailures
2
Complexity of molecule
0.247
Number of heavy atoms
64
TPSA
(Topological Polar Surface Area)
105.450 Å
2
Reaction
Product:
CR00312
Pathway
Major carotenoid information
Minor carotenoid information
Source organisms
Thermus thermophilus
(Ref.435) -
Deinococcus-Thermus: Thermophilic bacterium (Deinococci - Thermaceae)
References
Ref.435: Yokoyama A, Shizuri Y, Hoshino T, Sandmann G., Arch Microbiol. 1996 May 22;165(5):342-5., "Thermocryptoxanthins: novel intermediates in the carotenoid biosynthetic pathway of Thermus thermophilus".
CAS
173355-94-7
Links to other DB
KEGG COMPOUND:
C15952
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