LIPID MAPS

Structure Database (LMSD)

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Systematic Name

Glcα1-4Galα1-6Glcα1-4GlcAα-Cer(d18:0/14:0(2OH[S]))

Synonyms

LM ID

LMSP06000009

Formula

C₅₆H₁₀₃NO₂₅

Exact Mass

Calculate m/z

1189.681926

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)

SYWZSINVWYQGSW-CLMNLKEFSA-N

InChi (Click to copy)

InChI=1S/C56H103NO25/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-33(60)32(57-51(72)34(61)27-25-23-21-18-14-12-10-8-6-4-2)30-75-54-47(71)43(67)49(50(82-54)52(73)74)81-56-45(69)41(65)39(63)37(79-56)31-76-53-46(70)42(66)48(36(29-59)78-53)80-55-44(68)40(64)38(62)35(28-58)77-55/h32-50,53-56,58-71H,3-31H2,1-2H3,(H,57,72)(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](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)([H])(NC([C@@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC