Structure Database (LMSD)

Common Name
Cer(m18:0/26:1(17Z))
Systematic Name
N-(17Z-hexacosenoyl)-1-deoxysphinganine
Synonyms
  • C26:1DH 1-deoxyCer
LM ID
LMSP00000012
Formula
C44H87NO2
Exact Mass
Calculate m/z
661.673679
Sum Composition
Cer 44:1;O
Abbrev Chains
Cer 18:0;O/26:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
1-deoxyceramides [SP0206]

String Representations

InChiKey (Click to copy)
GEAGYQJCBRMTPM-LLZWXYRMSA-N
InChi (Click to copy)
InChI=1S/C44H87NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-44(47)45-42(3)43(46)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2/h18-19,42-43,46H,4-17,20-41H2,1-3H3,(H,45,47)/b19-18-/t42-,43+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
73242203

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 0
Aromatic Rings 0
Rotatable Bonds 39
Van der Waals Molecular Volume 793.06
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 15.06
Molar Refractivity 211.34

Admin

Created at
-
Updated at
14th Dec 2021