LIPID MAPS

Structure Database (LMSD)

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Common Name

GlcCer(d20:3(4E,8E,10E)(9Me)/18:1(3E)(2OH[R]))

Systematic Name

N-(2R-hydroxy-3E-octadecenoyl)-1-β-D-glucosyl-9-methyl-eicosasphinga-4E,8E,10E-trienine

Synonyms

LM ID

LMSP05010212

Formula

C₄₅H₈₁NO₉

Exact Mass

Calculate m/z

779.591135

Sum Composition

HexCer 39:4;O3

Abbrev Chains

GlcCer 21:3;O2/18:1;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)

XWCKKPIJIHDRSB-LJWLSABJSA-N

InChi (Click to copy)

InChI=1S/C45H81NO9/c1-4-6-8-10-12-14-15-16-17-18-20-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-21-19-13-11-9-7-5-2/h26,28-33,37-43,45,47-52H,4-25,27,34-35H2,1-3H3,(H,46,53)/b30-26+,32-29+,33-28+,36-31+/t37-,38+,39+,40+,41+,42-,43+,45+/m0/s1

SMILES (Click to copy)

[C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)([H])(NC([C@H](O)/C=C/CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C(\C)/C=C/CCCCCCCCC