LIPID MAPS

Structure Database (LMSD)

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Common Name

CerPE(d20:2(4E,8E)(9Me)/16:1(3E)(2OH[R])(15Me))

Systematic Name

N-(2R-hydroxy--15-methyl-3E-hexadecenoyl)-9-methyl-eicosasphinga-4E,8E-dienine-1-phosphoethanolamine

Synonyms

LM ID

LMSP03020100

Formula

C₄₀H₇₇N₂O₇P

Exact Mass

Calculate m/z

728.546839

Sum Composition

CerPE 38:3;O3

Abbrev Chains

CerPE 21:2;O2/17:1;O

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)

ZRAOIRURMNPMQE-ZQEQKGEHSA-N

InChi (Click to copy)

InChI=1S/C40H77N2O7P/c1-5-6-7-8-9-12-16-19-23-28-36(4)29-24-21-26-30-38(43)37(34-49-50(46,47)48-33-32-41)42-40(45)39(44)31-25-20-17-14-11-10-13-15-18-22-27-35(2)3/h25-26,29-31,35,37-39,43-44H,5-24,27-28,32-34,41H2,1-4H3,(H,42,45)(H,46,47)/b30-26+,31-25+,36-29+/t37-,38+,39+/m0/s1

SMILES (Click to copy)

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