Structure Database (LMSD)

Common Name
GalAalphaCer(d18:0/14:0)
Systematic Name
N-(tetradecanoyl)-1-α-galacturonosyl-sphinganine
Synonyms
  • GSL-1sw
  • 1-O-(alpha-D-galactopyranuronosyl)-N-tetradecanoyldihydrosphingosine
LM ID
LMSP06000001
Formula
Exact Mass
Calculate m/z
687.528535
Status
Curated

Classification

References

Comments
Submitted by B Spenceley & D Campopiano

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhizorhabdus wittichii RW1 (#392499)
Alphaproteobacteria (#28211)
Occurrence of an alpha-galacturonosyl-ceramide in the dioxin-degrading bacterium Sphingomonas wittichii.,
FEMS Microbiol Lett, 2002
Pubmed ID: 12351245

String Representations

InChiKey (Click to copy)
IRPOZWRRAFKYMQ-LMIAXWKISA-N
InChi (Click to copy)
InChI=1S/C38H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(40)30(29-47-38-35(44)33(42)34(43)36(48-38)37(45)46)39-32(41)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,33-36,38,40,42-44H,3-29H2,1-2H3,(H,39,41)(H,45,46)/t30-,31+,33-,34+,35+,36-,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(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 1
Aromatic Rings
Rotatable Bonds 32
Van der Waals Molecular Volume 738.43
Topological Polar Surface Area 167.85
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 9.21
Molar Refractivity 193.67

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Created at
13th Mar 2026
Updated at
13th Mar 2026