LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Manα1-2Galα1-6GlcNα1-4GlcAα-Cer(d21:1(13cy3)/14:0(2OH[S]))

Synonyms

LM ID

LMSP06000006

Formula

C₅₉H₁₀₈N₂O₂₄

Exact Mass

Calculate m/z

1228.729209

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 paucimobilis (#13689)

Alphaproteobacteria (#28211)

Chemical structure of glycosphingolipids isolated from Sphingomonas paucimobilis.,
FEBS Lett, 1991

Pubmed ID: 1959589

DOI: 10.1016/0014-5793(91)80845-t

String Representations

InChiKey (Click to copy)

DGQHPSAPPOUWQY-LRURYMCRSA-N

InChi (Click to copy)

InChI=1S/C59H108N2O24/c1-3-5-7-9-10-11-12-15-19-23-27-37(65)54(75)61-35(36(64)26-22-18-16-13-14-17-21-25-34-28-33(34)24-20-8-6-4-2)31-78-57-50(74)48(72)51(53(85-57)55(76)77)83-56-41(60)45(69)44(68)40(82-56)32-79-59-52(47(71)43(67)39(30-63)81-59)84-58-49(73)46(70)42(66)38(29-62)80-58/h33-53,56-59,62-74H,3-32,60H2,1-2H3,(H,61,75)(H,76,77)/t33?,34?,35-,36+,37-,38+,39+,40+,41+,42+,43-,44+,45+,46-,47-,48+,49-,50+,51-,52+,53-,56+,57-,58+,59-/m0/s1

SMILES (Click to copy)

[C@](CO[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]4[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@@H](O)[C@@H](CO)O3)O2)[C@@H](C(=O)O)O1)([H])(NC([C@@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCC1CC1CCCCCC