Structure Database (LMSD)

Common Name
Cer(m18:0/16:0)
Systematic Name
N-(hexadecanoyl)-1-deoxysphinganine
Synonyms
  • C16DH 1-deoxyCer
LM ID
LMSP00000019
Formula
C34H69NO2
Exact Mass
Calculate m/z
523.532829
Sum Composition
Cer 34:0;O
Abbrev Chains
Cer 18:0;O/16:0
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)
XDORUNOFOLESEM-JHOUSYSJSA-N
InChi (Click to copy)
InChI=1S/C34H69NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(36)32(3)35-34(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-33,36H,4-31H2,1-3H3,(H,35,37)/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
10118967

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 622.70
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 11.39
Molar Refractivity 165.26

Admin

Created at
-
Updated at
14th Dec 2021