Structure Database (LMSD)

Common Name
Cer(d18:0/17:0)
Systematic Name
N-(heptadecanoyl)-sphinganine
Synonyms
  • Cer[NdS]
LM ID
LMSP02020022
Formula
C35H71NO3
Exact Mass
Calculate m/z
553.543394
Sum Composition
Cer 35:0;O2
Abbrev Chains
Cer 18:0;O2/17:0
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-acylsphinganines (dihydroceramides) [SP0202]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
QZDZZVCCCYWHDN-SZAHLOSFSA-N
InChi (Click to copy)
InChI=1S/C35H71NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32H2,1-2H3,(H,36,39)/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
188226
PubChem CID
52931125
SwissLipids ID
SLM:000395572
Cayman ID
24427

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 648.79
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 11.03
Molar Refractivity 171.78

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Updated at
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