Structure Database (LMSD)

Common Name
omega-linoleoyloxy-Cer(d22:1/32:0)
Systematic Name
N-(32-(9Z,12Z-octadecadienoyloxy)-dotriacontanoyl)-docosasphing-4E-enine
Synonyms
  • Cer[EOS]
  • N-(32-linoleoyloxy-dotriacontanoyl)-docosasphing-4E-enine
  • Cer(d22:1/32:0
  • 18:2(9Z,12Z))
LM ID
LMSP02040067
Formula
C72H137NO5
Exact Mass
Calculate m/z
1096.049674
Sum Composition
ACer 72:3;O3
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)
Unpublished data from J. Wray, Univ Manchester

String Representations

InChiKey (Click to copy)
UXMCVWFQJPJLHS-HWSMFMFWSA-N
InChi (Click to copy)
InChI=1S/C72H137NO5/c1-3-5-7-9-11-13-15-17-19-33-37-40-44-48-52-56-60-64-70(75)69(68-74)73-71(76)65-61-57-53-49-45-41-38-34-31-29-27-25-23-21-20-22-24-26-28-30-32-35-39-43-47-51-55-59-63-67-78-72(77)66-62-58-54-50-46-42-36-18-16-14-12-10-8-6-4-2/h12,14,18,36,60,64,69-70,74-75H,3-11,13,15-17,19-35,37-59,61-63,65-68H2,1-2H3,(H,73,76)/b14-12-,36-18-,64-60+/t69-,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=C/CCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
171120865

Admin

Created at
2nd Apr 2020
Updated at
7th Apr 2020