LIPID MAPS

Structure Database (LMSD)

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Common Name

GlcCer(d20:3(4E,8E,10E)(9Me)/16:1(3E)(2OH[R])(15Me))

Systematic Name

N-(2R-hydroxy-15-methyl-3E-hexadecenoyl)-1-β-D-glucosyl-9-methyl-eicosasphinga-4E,8E,10E-trienine

Synonyms

LM ID

LMSP05010209

Formula

C₄₄H₇₉NO₉

Exact Mass

Calculate m/z

765.575485

Sum Composition

HexCer 38:4;O3

Abbrev Chains

GlcCer 21:3;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)

KQJJCUDLTCVFRH-ARRPXWINSA-N

InChi (Click to copy)

InChI=1S/C44H79NO9/c1-5-6-7-8-9-12-16-19-23-28-35(4)29-24-21-26-30-37(47)36(33-53-44-42(51)41(50)40(49)39(32-46)54-44)45-43(52)38(48)31-25-20-17-14-11-10-13-15-18-22-27-34(2)3/h23,25-26,28-31,34,36-42,44,46-51H,5-22,24,27,32-33H2,1-4H3,(H,45,52)/b28-23+,30-26+,31-25+,35-29+/t36-,37+,38+,39+,40+,41-,42+,44+/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/CCCCCCCCCCC(C)C)=O)[C@]([H])(O)/C=C/CC/C=C(\C)/C=C/CCCCCCCCC