LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

5,6-Dihydroxy-5,6-dihydrolutein

Systematic Name

(3S,5-,6-,3'R,6'R)-5,6-Dihydro-β,ε-carotene-3,5,6,3'-tetrol

Synonyms

LM ID

LMPR01070916

Formula

C₄₀H₅₈O₄

Exact Mass

Calculate m/z

602.433511

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ranunculus acris (#3447)

Magnoliopsida (#3398)

Reinvestigation of Original Taraxanthin Samples,
Helv Chim Acta, 1976

DOI: 10.1002/hlca.19760590440

String Representations

InChiKey (Click to copy)

FJRIGPREPNIRNO-SLWLHZRBSA-N

InChi (Click to copy)

InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-25,34-36,41-44H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39?,40?/m0/s1

SMILES (Click to copy)

C1C(C)(C)C(O)(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(C)=C[C@H](O)CC2(C)C)C(C)(O)C[C@H]1O