Astaxanthin
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
Molecular Identity
Astaxanthin
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
PubChem CID: 5281224
Astaxanthin is a carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein. It has a role as an antioxidant, an anticoagulant, an animal metabolite, a plant metabolite and a food colouring. It is a carotenol and a carotenone. It derives from a hydride of a beta-carotene.
2D Structure
Properties
C40H52O4
Molecular Formula
596.80
Molecular Weight
g/mol
596.3866
Exact Mass
Da
10.3
XLogP
Above Lipinski threshold
74.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
1340
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Astaxanthin472-61-7Ovoesterall-trans-AstaxanthinBioAstinAstaREALAstaxanthine(3S,3'S)-AstaxanthinCarophyll Pink8XPW32PR7I(3S,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dioneNSC-6356893,3'-Dihydroxy-beta-carotene-4,4'-dioneCHEBI:40968DTXSID00893777
Data from PubChem (NCBI)
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