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Entry
CA00712                                                            

Classification
Carotenoid Name
Hydroxychlorobactene glucoside hexadecanoate
IUPAC name 1'-[(6-O-Acyl-b-D-glucopyranosyl)oxy]-1',2'-dihydro-phi,psi-carotene
Formula
C62H94O7
Molecular Weight 
951.372 g/mol
Structure      Search similar carotenoids

Mol file
Carotenoid DB Fingerprints 
Biological functions/Properties 
Number of
conjugated double bonds 
13
Number of
conjugated multiple bonds 
13
Isomers 
InChI

InChIKey

Canonical SMILES

XLogP
21.890
Hydrogen Bond donors
(Lipinski's definition)
3
Hydrogen Bond Acceptors
(Lipinski's definition)
7
LipinskiFailures
2
Complexity of molecule
0.227
Number of heavy atoms
69
TPSA
(Topological Polar Surface Area) 
105.450 Å2
Reaction
Pathway
Major carotenoid information

Minor carotenoid information

Source organisms
Rhodococcus sp. CIP (Ref.168) - Actinobacteria (Actinobacteria - Nocardiaceae)
References
  • Ref.168: Ayako Osawa, Asami Kasahara, Shoko Matsuoka, Soeren Gassel, Gerhard Sandman, and Kazutoshi Shindo, Biosci, Biotechnol, Biochem, 75 (11), pp. 2142-2147, (2011), "Isolation of a Novel Carotenoid, OH-chlorobactene Glucoside Hexadecanoate, and Related Rare Carotenoids from Rhodococcus sp. CIP and Their Antioxidative Activities".
  • CAS
    1380297-76-6
    Links to other DB

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