Structure Database (LMSD)

Common Name
Cer(d18:0/15:0)
Systematic Name
N-(pentadecanoyl)-sphinganine
Synonyms
  • Cer[NdS]
LM ID
LMSP02020021
Formula
C33H67NO3
Exact Mass
Calculate m/z
525.512094
Sum Composition
Cer 33:0;O2
Abbrev Chains
Cer 18:0;O2/15:0
Status
Active
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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)
IZHDCKVGRKOGIB-AJQTZOPKSA-N
InChi (Click to copy)
InChI=1S/C33H67NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32(36)31(30-35)34-33(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,34,37)/t31-,32+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
156116
PubChem CID
52931114
SwissLipids ID
SLM:000395574

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 614.19
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 10.25
Molar Refractivity 162.54

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Updated at
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