LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Manα1-2Galα1-6GlcNα1-4GlcAα-Cer(d18:0/14:0(2OH[S]))

Synonyms

LM ID

LMSP06000005

Formula

C₅₆H₁₀₄N₂O₂₄

Exact Mass

Calculate m/z

1188.697909

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)

RCUNWHPLELPHMQ-MJCIMKMVSA-N

InChi (Click to copy)

InChI=1S/C56H104N2O24/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-33(61)32(58-51(72)34(62)27-25-23-21-18-14-12-10-8-6-4-2)30-75-54-47(71)45(69)48(50(82-54)52(73)74)80-53-38(57)42(66)41(65)37(79-53)31-76-56-49(44(68)40(64)36(29-60)78-56)81-55-46(70)43(67)39(63)35(28-59)77-55/h32-50,53-56,59-71H,3-31,57H2,1-2H3,(H,58,72)(H,73,74)/t32-,33+,34-,35+,36+,37+,38+,39+,40-,41+,42+,43-,44-,45+,46-,47+,48-,49+,50-,53+,54-,55+,56-/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)CCCCCCCCCCCCCCC