LIPID MAPS

Structure Database (LMSD)

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Common Name

CAEP(d20:2(4E,8E)(9Me)/16:1(3E)(2OH[R]))

Systematic Name

N-(2R-hydroxy-3E-hexadecenoyl)-9-methyl-eicosasphinga-4E,8E-dienine-1-(2-aminoethylphosphonate)

Synonyms

LM ID

LMSP04000005

Formula

C₃₉H₇₅N₂O₆P

Exact Mass

Calculate m/z

698.536274

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Submitted by B Spenceley & D Campopiano

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Sorangium cellulosum So ce56 (#448385)

Unusual outer membrane lipid composition of the gram-negative, lipopolysaccharide-lacking myxobacterium Sorangium cellulosum So ce56.,
J Biol Chem, 2011

Pubmed ID: 21321121

DOI: 10.1074/jbc.m110.194209

String Representations

InChiKey (Click to copy)

JKNJELVGTHMREW-DFLOUKISSA-N

InChi (Click to copy)

InChI=1S/C39H75N2O6P/c1-4-6-8-10-12-14-15-16-18-20-22-26-31-38(43)39(44)41-36(34-47-48(45,46)33-32-40)37(42)30-27-23-25-29-35(3)28-24-21-19-17-13-11-9-7-5-2/h26-27,29-31,36-38,42-43H,4-25,28,32-34,40H2,1-3H3,(H,41,44)(H,45,46)/b30-27+,31-26+,35-29+/t36-,37+,38+/m0/s1

SMILES (Click to copy)

[C@](COP(O)(=O)CCN)([H])(NC([C@H](O)/C=C/CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C(\C)/CCCCCCCCCCC