Carotenoid DB: CA00691

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Carotenoids DB: CA00691

Entry

CA00691

Classification

C40 carotenoids including C40 originated apocarotenoids and intermediates
2.4 epsilon,epsilon Carotene
C40 Hydroxycarotenoids

Carotenoid Name

Tunaxanthin A

IUPAC name

(3S,6S,3'S,6'S)-epsilon,epsilon-Carotene-3,3'-diol

Formula

C40H56O2

Molecular Weight

568.848 g/mol

Structure

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Mol file

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(3S,6S,3'S,6'S), 3-OH, 3'-OH, epsilon,epsilon
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Biological functions/Properties

Number of
conjugated double bonds

Number of
conjugated multiple bonds

Isomers

Constitutional isomer: CA01213, CA00140, CA00078, CA00079, CA00164, CA00207, CA00208, CA00204, CA00218, CA00233, CA00234, CA00206, CA00205, CA00249, CA00248, CA00261, CA00373, CA00374, CA00327, CA00326, CA00375, CA00328, CA00329, CA00330, CA00331, CA00399, CA00435, CA00402, CA00401, CA00400, CA00430, CA00434, CA00403, CA00480, CA00582, CA01237, CA00597, CA00598, CA00615, CA00599, CA00600, CA00616, CA00614, CA00623, CA00676, CA01228, CA00737

Conformer: CA00689, CA00686, CA00687, CA00685, CA00690, CA00683, CA00684, CA00688

Enantiomer: CA00682

InChI

InChIKey

Canonical SMILES

XLogP

12.002

Hydrogen Bond donors
(Lipinski's definition)

Hydrogen Bond Acceptors
(Lipinski's definition)

LipinskiFailures

Complexity of molecule

0.306

Number of heavy atoms

TPSA
(Topological Polar Surface Area)

40.460 Å²

Reaction

Pathway

Major carotenoid information

Minor carotenoid information

Source organisms

Acanthochiton defilippii (Ref.366) -
Acanthochiton rubrolineatus (Ref.366) - chiton (Mollusca - Acanthochitonidae)
Thunnus obesus (Ref.367) - Bony fish: bigeye tuna (Chordata - Scombridae)
Gymnogobius castaneus (Ref.772) - Bony fish: Rosary goby, small goby（4～6 cm body length）that inhabits the middle stretches of rivers, lakes, and lagoons in North Eastern Japan. Its tail fin is bright orange in color. (Chordata - Gobiidae)

References

Ref.366: Tsushima, Miyuki; Maoka, Takashi; Matsuno, Takao, Comparative Biochemistry and Physiology, Part B: Biochemistry & Molecular Biology (1989), 93B(3), 665-71., "Comparative biochemical studies of carotenoids in marine invertebrates - the first positive identification of ε,ε-carotene derivatives and isolation of two new carotenoids from chitons".

Ref.367: Ikuno, Yoshihiro; Matsuno, Takao, Nippon Suisan Gakkaishi (1987), 53(10), 1893-6., "Carotenoids and their metabolism in big-eye tuna Thunnus obesus".

Ref.772: Takashi Maoka, J. Oleo Sci. 67, (10) 1259-1263 (2018), “New Acetylenic Carotenoid 6’-Epimonadoxanthin from the Rosary Goby Gymnogobius castaneus”, doi: 10.5650/jos.ess18153.

CAS

71697-14-8

Links to other DB

KNApSAcK: C00022887
LipidBank: VCA0039

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