LIPID MAPS

Structure Database (LMSD)

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Common Name

Idoxanthin

Systematic Name

(3S,3'S)-3,3',4'-Trihydroxy-β,β-caroten-4-one

Synonyms

LM ID

LMPR01070822

Formula

C₄₀H₅₄O₄

Exact Mass

Calculate m/z

598.40221

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

DNKQGUYVWUAYIE-KRJZFOBGSA-N

InChi (Click to copy)

InChI=1S/C40H54O4/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/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+/m0/s1

SMILES (Click to copy)

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

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Clione limacina (#71516)

Gastropoda (#6448)

Carotenoids of sea angels Clione limacina and Paedoclione doliiformis from the perspective of the food chain.,
Mar Drugs, 2014

Pubmed ID: 24633249

Salvelinus alpinus (#8036)

Actinopteri (#186623)

Astaxanthin and its metabolites idoxanthin and crustaxanthin in flesh, skin, and gonads of sexually immature and maturing Arctic charr (Salvelinus alpinus (L.)).,
Comp Biochem Physiol B Biochem Mol Biol, 2000

Pubmed ID: 10818273