Structure Database (LMSD)

Common Name
Cer(d18:1/2:0)
Systematic Name
N-(acetyl)-sphing-4-enine
Synonyms
  • C2-ceramide
  • N-(acetyl)-ceramide
  • N-(acetyl)-ceramide
  • N-acetylsphingosine
  • Cer[NS]
LM ID
LMSP02010014
Formula
C20H39NO3
Exact Mass
Calculate m/z
341.292994
Sum Composition
Cer 20:1;O2
Abbrev Chains
Cer 18:1;O2/2:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
BLTCBVOJNNKFKC-QUDYQQOWSA-N
InChi (Click to copy)
InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20+/m0/s1
SMILES (Click to copy)
C(/[C@H]([C@H](CO)NC(=O)C)O)=C\CCCCCCCCCCCCC

Other Databases

CHEBI ID
46979
PubChem CID
5497136
SwissLipids ID
SLM:000001066
Cayman ID
62510

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 386.65
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 4.96
Molar Refractivity 102.43

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Created at
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Updated at
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