LIPID MAPS

Structure Database (LMSD)

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Common Name

(13Z)-Astaxanthin

Systematic Name

(13Z)-3,3'-Dihydroxy-β,β-carotene-4,4'-dione

Synonyms

LM ID

LMPR01070804

Formula

C₄₀H₅₂O₄

Exact Mass

Calculate m/z

596.38656

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

MQZIGYBFDRPAKN-HDQLMXHPSA-N

InChi (Click to copy)

InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15-,28-16+,29-19+,30-20+

SMILES (Click to copy)

C(/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)(C)CC(O)C(=O)C=1C)=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)C(O)CC1(C)C

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unidentified (#32644)

Cis astaxanthin and especially 9-cis astaxanthin exhibits a higher antioxidant activity in vitro compared to the all-trans isomer.,
Biochem Biophys Res Commun, 2007

Pubmed ID: 17416351