Structure Database (LMSD)

Common Name
GalAalphaCer(d18:0/14:0(2OH[S]))
Systematic Name
N-(2S-hydroxy-tetradecanoyl)-1-α-galacturonosyl-sphinganine
Synonyms
  • 1-O-(alpha-D-galactopyranuronosyl)-N-(2S-hydroxy)-tetradecanoyldihydrosphingosine
LM ID
LMSP06000012
Formula
C38H73NO10
Exact Mass
Calculate m/z
703.52345
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Acidic glycosphingolipids [SP06]
Other Acidic glycosphingolipids [SP0600]

References

Comments
Submitted by B Spenceley & D Campopiano

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sphingobium yanoikuyae (#13690)
Alphaproteobacteria (#28211)
Confirmation of the anomeric structure of galacturonic acid in the galacturonosyl-ceramide of Sphingomonas yanoikuyae.,
Microbiol Immunol, 2006
Pubmed ID: 16428876

String Representations

InChiKey (Click to copy)
KDPUFYMEZXNOCG-FCESPHFESA-N
InChi (Click to copy)
InChI=1S/C38H73NO10/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-30(40)29(28-48-38-34(44)32(42)33(43)35(49-38)37(46)47)39-36(45)31(41)27-25-23-21-18-14-12-10-8-6-4-2/h29-35,38,40-44H,3-28H2,1-2H3,(H,39,45)(H,46,47)/t29-,30+,31-,32-,33+,34+,35-,38-/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O1)([H])(NC([C@@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
11614581

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 1
Aromatic Rings
Rotatable Bonds 32
Van der Waals Molecular Volume 747.22
Topological Polar Surface Area 188.08
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 8.47
Molar Refractivity 195.57

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Created at
15th Apr 2026
Updated at
15th Apr 2026