LIPID MAPS

Structure Database (LMSD)

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Common Name

4'-Hydroxy-4-ketopirardixanthin

Systematic Name

(5S,6S,4'S,5'S,6'S)-4'-Hydroxy-5,6,5',6'-tetrahydro-β,β-caroten-4-one

Synonyms

4'-Hydroxy-4-oxopirardixanthin
Cucumariaxanthin B

LM ID

LMPR01070783

Formula

C₄₀H₅₈O₂

Exact Mass

Calculate m/z

570.443681

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Fusinus (#6487)

Gastropoda (#6448)

arotenoids of shellfishes - VIII. Comparative biochemical studies of carotenoids in three species of spindle shell, Fusinus perplexus, F. perplexus ferrugineus and F. forceps,
Comp Biochem Physiol, 1986

String Representations

InChiKey (Click to copy)

PTEUXLLYOIVZFO-CDSIZDLZSA-N

InChi (Click to copy)

InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,36-,37-/m0/s1

SMILES (Click to copy)

C1C(C)(C)[C@@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2[C@H](C)[C@@H](O)CCC2(C)C)[C@H](C)C(=O)C1