LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Galα1-6GlcNα1-4GlcAα-Cer(d20:1(13Z)/14:0(2OH[S]))

Synonyms

LM ID

LMSP06000014

Formula

C₅₂H₉₆N₂O₁₉

Exact Mass

Calculate m/z

1052.660734

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Novosphingobium capsulatum (#13688)

Alphaproteobacteria (#28211)

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

Pubmed ID: 10712617

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

String Representations

InChiKey (Click to copy)

UKYGGGJWSWUVDZ-GCPIBAAPSA-N

InChi (Click to copy)

InChI=1S/C52H96N2O19/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-34(56)33(54-48(65)35(57)29-27-25-23-20-14-12-10-8-6-4-2)31-68-52-45(64)43(62)46(47(73-52)49(66)67)72-50-38(53)41(60)40(59)37(71-50)32-69-51-44(63)42(61)39(58)36(30-55)70-51/h13,15,33-47,50-52,55-64H,3-12,14,16-32,53H2,1-2H3,(H,54,65)(H,66,67)/b15-13-/t33-,34+,35-,36+,37+,38+,39-,40+,41+,42-,43+,44+,45+,46-,47-,50+,51-,52-/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](N)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)O2)[C@@H](C(=O)O)O1