LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

(8'R)-Luteoxanthin

Systematic Name

(3S,5R,6S,3'S,5'R,8'R)-5,6:5',8'-Diepoxy-5,6,5',8'-tetrahydro-β,β-carotene-3,3'-diol

Synonyms

LM ID

LMPR01070730

Formula

C₄₀H₅₆O₄

Exact Mass

Calculate m/z

600.41786

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rosa foetida (#74629)

Magnoliopsida (#3398)

Eine Neuuntersuchung der Carotinoide aus Rosa foetida: Struktur von 12 neuen Carotinoiden; stereoisomere Luteoxanthine, Auroxanthine, Latoxanthine und Latochrome,
Helv Chim Acta, 1984

DOI: 10.1002/hlca.19840670814

String Representations

InChiKey (Click to copy)

YNNRPBRNWWIQPQ-JUINZOCDSA-N

InChi (Click to copy)

InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-33(42)27-39(40,10)44-40)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)43-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34+,38+,39+,40-/m0/s1

SMILES (Click to copy)

C1C(C)(C)[C@@]2(O[C@]2(C)C[C@H]1O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/[C@@H]1O[C@@]2(C)C(C(C)(C)C[C@H](O)C2)=C1