Structure Database (LMSD)

Common Name
LacCer(d18:0/26:1)
Systematic Name
N-(17Z-hexacosenoyl)-1-β-lactosyl-sphinganine
Synonyms
  • C26:1 DHLactosylceramide
  • C26:1 DHLacCer
LM ID
LMSP0501AB20
Formula
C56H107NO13
Exact Mass
Calculate m/z
1001.774244
Sum Composition
Hex2Cer 44:1;O2
Abbrev Chains
LacCer 18:0;O2/26:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]

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)
XNZACKZEQJQPNK-XHKKOLGZSA-N
InChi (Click to copy)
InChI=1S/C56H107NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h17-18,44-47,49-56,58-60,62-66H,3-16,19-43H2,1-2H3,(H,57,61)/b18-17-/t44-,45+,46+,47+,49-,50-,51+,52+,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)O2)[C@@H](CO)O1)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
52931270
SwissLipids ID
SLM:000399171

Calculated Physicochemical Properties

Heavy Atoms 70
Rings 2
Aromatic Rings 0
Rotatable Bonds 46
Van der Waals Molecular Volume 1072.63
Topological Polar Surface Area 232.00
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 14
logP 13.40
Molar Refractivity 284.60

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Created at
-
Updated at
27th Jul 2021