LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

CerPE(d20:3(4E,8E,10E)(9Me)/16:1(3E)(2OH[R]))

Systematic Name

N-(2R-hydroxy-3E-hexadecenoyl)-9-methyl-eicosasphinga-4E,8E,10E-trienine-1-phosphoethanolamine

Synonyms

LM ID

LMSP03020098

Formula

C₃₉H₇₃N₂O₇P

Exact Mass

Calculate m/z

712.515539

Sum Composition

CerPE 37:4;O3

Abbrev Chains

CerPE 21:3;O2/16:1;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

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)

CVEYGEXUGNRAMR-LOEJUSATSA-N

InChi (Click to copy)

InChI=1S/C39H73N2O7P/c1-4-6-8-10-12-14-15-16-18-20-22-26-31-38(43)39(44)41-36(34-48-49(45,46)47-33-32-40)37(42)30-27-23-25-29-35(3)28-24-21-19-17-13-11-9-7-5-2/h24,26-31,36-38,42-43H,4-23,25,32-34,40H2,1-3H3,(H,41,44)(H,45,46)/b28-24+,30-27+,31-26+,35-29+/t36-,37+,38+/m0/s1

SMILES (Click to copy)

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