LIPID MAPS

Structure Database (LMSD)

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Common Name

Etnangien

Systematic Name

Synonyms

LM ID

LMPK04000046

Formula

C₄₉H₇₆O₁₁

Exact Mass

Calculate m/z

840.538765

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

VHPBIOVAVQXSJO-DLGDGFEOSA-N

InChi (Click to copy)

InChI=1S/C49H76O11/c1-34(22-17-13-11-9-8-10-12-14-19-24-40(50)30-35(2)28-29-46(54)55)31-43(52)37(4)45-32-41(51)25-21-27-42(59-7)26-20-16-15-18-23-36(3)48(57)39(6)49(58)38(5)44(53)33-47(56)60-45/h8-20,22,30-31,36-45,48-53,57-58H,21,23-29,32-33H2,1-7H3,(H,54,55)/b9-8+,12-10+,13-11+,18-15+,19-14+,20-16-,22-17+,34-31+,35-30+/t36-,37+,38+,39-,40-,41+,42+,43+,44+,45-,48+,49-/m0/s1

SMILES (Click to copy)

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sorangium cellulosum (#56)

Deltaproteobacteria (#28221)

Stereochemical determination and complex biosynthetic assembly of etnangien, a highly potent RNA polymerase inhibitor from the myxobacterium Sorangium cellulosum.,
J Am Chem Soc, 2008

Pubmed ID: 18826315