LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Glcα1-4Galα1-6Glcα1-4GlcAα-Cer(d20:1(13Z)/14:0(2OH[S]))

Synonyms

LM ID

LMSP06000010

Formula

C₅₈H₁₀₅NO₂₅

Exact Mass

Calculate m/z

1215.697576

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

Sphingomonas adhaesiva (#28212)

Alphaproteobacteria (#28211)

Structural analysis of a new glycosphingolipid from the lipopolysaccharide-lacking bacterium Sphingomonas adhaesiva.,
Carbohydr Res, 2001

Pubmed ID: 11423114

DOI: 10.1016/s0008-6215(01)00111-2

String Representations

InChiKey (Click to copy)

JHUUTKKYVRLOID-NASIRJTRSA-N

InChi (Click to copy)

InChI=1S/C58H105NO25/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-35(62)34(59-53(74)36(63)29-27-25-23-20-14-12-10-8-6-4-2)32-77-56-49(73)45(69)51(52(84-56)54(75)76)83-58-47(71)43(67)41(65)39(81-58)33-78-55-48(72)44(68)50(38(31-61)80-55)82-57-46(70)42(66)40(64)37(30-60)79-57/h13,15,34-52,55-58,60-73H,3-12,14,16-33H2,1-2H3,(H,59,74)(H,75,76)/b15-13-/t34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,55-,56-,57+,58+/m0/s1

SMILES (Click to copy)

O(C[C@]([H])(NC([C@@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCC/C=C\CCCCCC)[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](CO)O3)O2)[C@@H](C(=O)O)O1