LIPID MAPS

Structure Database (LMSD)

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Common Name

Bacteriorubixanthinal

Systematic Name

(3R)-9'-cis-3-Hydroxy-1'-methoxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-19'-al

Synonyms

LM ID

LMPR01070145

Formula

C₄₁H₅₆O₃

Exact Mass

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596.422945

Status

Curated

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Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Erythrobacter longus (#1044)

Alphaproteobacteria (#28211)

Monocyclic cross-conjugated carotenal from an aerobic photosynthetic bacterium, Erythrobacter longus,
Phytochemistry, 1998

DOI: 10.1016/0031-9422(88)80776-3

String Representations

InChiKey (Click to copy)

DFOYVSCLGRVGJK-VNWCQJOTSA-N

InChi (Click to copy)

InChI=1S/C41H56O3/c1-32(19-13-20-35(4)26-27-39-36(5)29-38(43)30-40(39,6)7)17-11-12-18-33(2)21-14-24-37(31-42)25-15-22-34(3)23-16-28-41(8,9)44-10/h11-27,31,38,43H,28-30H2,1-10H3/b12-11+,19-13+,21-14+,23-16+,25-15+,27-26+,32-17+,33-18+,34-22+,35-20+,37-24+/t38-/m1/s1

SMILES (Click to copy)

C1(=C(C)C[C@@H](O)CC1(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=O)\C=C\C=C(/C)\C=C\CC(C)(OC)C