Structure Database (LMSD)

Common Name
omega-linoleoyloxy-Cer(t20:0/32:0)
Systematic Name
N-(32-(9Z,12Z-octadecadienoyloxy)-dotriacontanoyl)-4R-hydroxy-eicosasphinganine
Synonyms
  • Cer[EOP]
  • N-(32-linoleoyloxy-dotriacontanoyl)-eicosaphytosphingosine
  • Cer(t20:0/32:0
  • 18:2(9Z,12Z))
LM ID
LMSP02040151
Formula
C70H135NO6
Exact Mass
Calculate m/z
1086.028939
Sum Composition
ACer 70:2;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Acylceramides [SP0204]

References

Comments
Submitted by J.Wray

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipid functions in skin: Differential effects of n-3 polyunsaturated fatty acids on cutaneous ceramides, in a human skin organ culture model.,
Biochim Biophys Acta Biomembr, 2017
Pubmed ID: 28341437

String Representations

InChiKey (Click to copy)
SWCHFMSKLSHPOG-YOIIEOBDSA-N
InChi (Click to copy)
InChI=1S/C70H135NO6/c1-3-5-7-9-11-13-15-17-34-39-43-47-51-55-59-63-69(75)77-64-60-56-52-48-44-40-36-33-31-29-27-25-23-21-19-20-22-24-26-28-30-32-35-38-42-46-50-54-58-62-68(74)71-66(65-72)70(76)67(73)61-57-53-49-45-41-37-18-16-14-12-10-8-6-4-2/h11,13,17,34,66-67,70,72-73,76H,3-10,12,14-16,18-33,35-65H2,1-2H3,(H,71,74)/b13-11-,34-17-/t66-,67+,70-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
171120889

Calculated Physicochemical Properties

Heavy Atoms 77
Rings 0
Aromatic Rings 0
Rotatable Bonds 66
Van der Waals Molecular Volume 1272.74
Topological Polar Surface Area 116.09
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 22.55
Molar Refractivity 337.30

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Created at
7th Apr 2020
Updated at
7th Apr 2020