Structure Database (LMSD)
Common Name
omega-linoleoyloxy-Cer(d23:0/29:0)
Systematic Name
N-(29-(9Z,12Z-octadecadienoyloxy)-nonacosanoyl)-triacosasphinganine
Synonyms
- Cer[EODS]
- N-(29-linoleoyloxy-nonacosanoyl)-triacosasphinganine
- N-(29-linoleoyloxy-nonacosanoyl)-triacosadihydrosphingosine
- Cer(d23:0/29:0
- 18:2(9Z,12Z))
LM ID
LMSP02040137
Formula
Exact Mass
Calculate m/z
1070.034024
Sum Composition
Status
Active
3D model of omega-linoleoyloxy-Cer(d23:0/29:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
KGFGQIUNRJRCCS-BRTBGHBWSA-N
InChi (Click to copy)
InChI=1S/C70H135NO5/c1-3-5-7-9-11-13-15-17-19-20-31-35-38-42-46-50-54-58-62-68(73)67(66-72)71-69(74)63-59-55-51-47-43-39-36-32-29-27-25-23-21-22-24-26-28-30-33-37-41-45-49-53-57-61-65-76-70(75)64-60-56-52-48-44-40-34-18-16-14-12-10-8-6-4-2/h12,14,18,34,67-68,72-73H,3-11,13,15-17,19-33,35-66H2,1-2H3,(H,71,74)/b14-12-,34-18-/t67-,68+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCCCC
Other Databases
PubChem CID
Admin
Created at
6th Apr 2020
Updated at
7th Apr 2020