LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Bacterioruberin diglucoside

Systematic Name

(2S,2'S)-2,2'-Bis-(3-glucosyloxy-3-methylbutyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol

Synonyms

LM ID

LMPR01080037

Formula

C₆₂H₉₆O₁₄

Exact Mass

Calculate m/z

1064.68001

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

bacterium (#1869227)

Bacterial carotenoids. XXXIX. C 50 -carotenoids. 10. Bacterioruberin mono- and diglucoside.,
Acta Chem Scand, 1972

Pubmed ID: 4635697

String Representations

InChiKey (Click to copy)

AAKNSFWYMCEXOJ-VNLCNEPDSA-N

InChi (Click to copy)

InChI=1S/C62H96O14/c1-41(23-17-25-43(3)27-19-29-45(5)31-33-47(61(11,12)71)35-37-59(7,8)75-57-55(69)53(67)51(65)49(39-63)73-57)21-15-16-22-42(2)24-18-26-44(4)28-20-30-46(6)32-34-48(62(13,14)72)36-38-60(9,10)76-58-56(70)54(68)52(66)50(40-64)74-58/h15-34,47-58,63-72H,35-40H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,33-31+,34-32+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47?,48?,49-,50-,51-,52-,53+,54+,55-,56-,57+,58+/m1/s1

SMILES (Click to copy)

C(=C(/C)\C=C\C(CCC(C)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C)C(C)(C)O)/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=C/C(CCC(C)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C)C(C)(O)C