Structure Database (LMSD)

Common Name
LacCer(d18:0/14:0)
Systematic Name
N-(tetradecanoyl)-1-β-lactosyl-sphinganine
Synonyms
  • C14 DHLactosylceramide
  • C14 DHLacCer
LM ID
LMSP0501AB13
Formula
Exact Mass
Calculate m/z
835.602094
Sum Composition
Abbrev Chains
LacCer 18:0;O2/14:0
Status
Active

Classification

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

String Representations

InChiKey (Click to copy)
GZAFGNYWSXADAF-BNARDXHQSA-N
InChi (Click to copy)
InChI=1S/C44H85NO13/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-33(48)32(45-36(49)28-26-24-22-20-17-14-12-10-8-6-4-2)31-55-43-41(54)39(52)42(35(30-47)57-43)58-44-40(53)38(51)37(50)34(29-46)56-44/h32-35,37-44,46-48,50-54H,3-31H2,1-2H3,(H,45,49)/t32-,33+,34+,35+,37-,38-,39+,40+,41+,42+,43+,44-/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(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 58
Rings 2
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 867.67
Topological Polar Surface Area 232.00
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 14
logP 8.95
Molar Refractivity 229.29

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Created at
-
Updated at
27th Jul 2021