LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

(3'R)-2,3'-Dihydroxycanthaxanthin

Systematic Name

(3'R)-2,3'-dihydroxy-β,β-caroten-4,4'-dione

Synonyms

LM ID

LMPR01070812

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)

RAWKXKPJGBUIEG-LWOJSUBOSA-N

InChi (Click to copy)

InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-32(6)38(44)36(42)26-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-31(5)35(41)25-37(43)40(34,9)10/h11-24,36-37,42-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t36-,37?/m1/s1

SMILES (Click to copy)

C1(O)C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C(=O)[C@H](O)CC2(C)C)=C(C)C(=O)C1

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Paralithodes brevipes (#174403)

Malacostraca (#6681)

2,3'-Dihydroxycanthaxanthin, a new carotenoid with a 2-hydroxy-4-oxo-beta-end group from the hermit crab, Paralithodes brevipes.,
Chem Pharm Bull (Tokyo), 2006

Pubmed ID: 17015993