LIPID MAPS

Structure Database (LMSD)

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Common Name

Thiothece-460

Systematic Name

1-Methoxy-4-oxo-1,2-dihydro-8'-apo-psi-caroten-8'-al

Synonyms

LM ID

LMPR01071059

Formula

C₃₁H₄₂O₃

Exact Mass

Calculate m/z

462.313396

Status

Curated

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

Thiocystis gelatinosa (#46450)

Gammaproteobacteria (#1236)

Bacterial carotenoids. XXXVII. Carotenoids of thiorhodaceae 9. Structural elucidation of five minor carotenoids from thiothece gelatinosa.,
Acta Chem Scand, 1972

Pubmed ID: 4635689

String Representations

InChiKey (Click to copy)

YBVHJCLVFBRGGU-HNGFKUQUSA-N

InChi (Click to copy)

InChI=1S/C31H42O3/c1-25(14-9-10-15-26(2)18-12-20-28(4)24-32)16-11-17-27(3)19-13-21-29(5)30(33)22-23-31(6,7)34-8/h9-21,24H,22-23H2,1-8H3/b10-9+,16-11+,18-12+,19-13+,25-14+,26-15+,27-17+,28-20+,29-21+

SMILES (Click to copy)

C(/C=C(\C)/C(=O)CCC(C)(OC)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C=O)/C