LIPID MAPS

Structure Database (LMSD)

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Common Name

Anhydrolutein II

Systematic Name

(3R,6'R)-2',3'-Didehydro-β,ε-caroten-3-ol

Synonyms

LM ID

LMPR01070895

Formula

C₄₀H₅₄O

Exact Mass

Calculate m/z

550.417465

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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Classification

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Isolation, structural elucidation, and partial synthesis of lutein dehydration products in extracts from human plasma.,
J Chromatogr B Biomed Appl, 1995

Pubmed ID: 8548012

String Representations

InChiKey (Click to copy)

HBHHQQIZEXNSHZ-NHWXEJKLSA-N

InChi (Click to copy)

InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-27,36-37,41H,28-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/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/[C@H]2C(C)=CC=CC2(C)C)=C(C)C[C@H]1O