Structure Database (LMSD)

Common Name
Cer(d18:1/14:0)
Systematic Name
N-(tetradecanoyl)-sphing-4-enine
Synonyms
  • C14 Cer
  • N-(tetradecanoyl)-ceramide
  • N-(myristoyl)-ceramide
  • Cer[NS]
LM ID
LMSP02010001
Formula
C32H63NO3
Exact Mass
Calculate m/z
509.480794
Sum Composition
Cer 32:1;O2
Abbrev Chains
Cer 18:1;O2/14:0
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
ZKRPGPZHULJLKJ-JHRQRACZSA-N
InChi (Click to copy)
InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,30-31,34-35H,3-24,26,28-29H2,1-2H3,(H,33,36)/b27-25+/t30-,31+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCCCC)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

KEGG ID
C13916
HMDB ID
HMDB0011773
CHEBI ID
34863
PubChem CID
5282310
SwissLipids ID
SLM:000000975
Cayman ID
22531

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 594.25
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 9.64
Molar Refractivity 157.83

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Updated at
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