Structure Database (LMSD)

Common Name
LacCer(d18:0/16:0)
Systematic Name
N-(hexadecanoyl)-1-β-lactosyl-sphinganine
Synonyms
  • C16 DHLactosylceramide
  • C16 DHLacCer
LM ID
LMSP0501AB14
Status
Active
Exact Mass
Calculate m/z
863.633394
Formula
Abbrev
Abbrev Chains
LacCer 18:0;O2/16:0


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
CBEYGTIUKNFYAE-XZBGNQMMSA-N
InChi (Click to copy)
InChI=1S/C46H89NO13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(50)34(47-38(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h34-37,39-46,48-50,52-56H,3-33H2,1-2H3,(H,47,51)/t34-,35+,36+,37+,39-,40-,41+,42+,43+,44+,45+,46-/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)O2)[C@@H](CO)O1)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 60
Rings 2
Aromatic Rings 0
Rotatable Bonds 37
Van der Waals Molecular Volume 902.27
Topological Polar Surface Area 232.00
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 14
logP 9.73
Molar Refractivity 238.53

Admin

Created at
-
Updated at
27th Jul 2021