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Carotenoids DB: CA01200
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Entry
CA01200
Classification
C40 carotenoids including C40 originated apocarotenoids and intermediates
5.2 beta,- apo Carotene
 
Apocarotenoids
Carotenoid Name
14'-Apoastaxanthinal
IUPAC name
(3S)-14'-Apo-3-hydroxy-4-keto-beta-caroten-14'-al
Formula
C22H28O3
Molecular Weight
340.444 g/mol
Structure
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Mol file
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(3S)
,
14'-apo
,
3-OH
,
4=O
,
beta
,
14'-al
( Help )
Biological functions/Properties
An auto-oxidized product reacted with atmospheric oxygen at 55℃ in the dark for 35 days (Ref.629).
Number of
conjugated double bonds
8 including one aldehyde and one ketone (8 in total)
Number of
conjugated multiple bonds
8 including one aldehyde and one ketone (8 in total)
Isomers
InChI
InChIKey
Canonical SMILES
XLogP
4.510
Hydrogen Bond donors
(Lipinski's definition)
1
Hydrogen Bond Acceptors
(Lipinski's definition)
3
LipinskiFailures
0
Complexity of molecule
0.113
Number of heavy atoms
25
TPSA
(Topological Polar Surface Area)
54.370 Å
2
Reaction
Pathway
Major carotenoid information
Minor carotenoid information
Source organisms
Thermal degraded product
(Ref.629) -
Thermal degraded product (Unclassified non-living matter - Unclassified non-living matter)
References
Ref.629: H. Ethoh, M.Suhara, S. Tokuyama, H. Kato, R. Nakahigashi, Y. Maejima, M. Ishikura, Y. Yarada, and T. Maoka, Journal of Oleo Science 61, (1), 17-21 (2012), "Auto-oxidation Products of Astaxanthin".
CAS
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