Structure Database (LMSD)

Common Name
Cer(d18:2/22:0)
Systematic Name
N-(docosanoyl)-4E,14Z-sphingadienine
Synonyms
  • Cer[NS]
LM ID
LMSP02010029
Status
Active
Exact Mass
Calculate m/z
619.590344
Formula
C40H77NO3
Abbrev
Cer 40:2;O2
Abbrev Chains
Cer 18:2;O2/22:0
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MDLMOL SDF CSV TSV
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Main

Classification

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

String Representations

InChiKey (Click to copy)
HILTUFAERVOALR-MQXYEJFFSA-N
InChi (Click to copy)
InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10,33,35,38-39,42-43H,3-7,9,11-32,34,36-37H2,1-2H3,(H,41,44)/b10-8-,35-33+/t38-,39+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC

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

Other Databases

CHEBI ID
134550
PubChem CID
52931123

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 0
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 730.01
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 12.54
Molar Refractivity 194.68

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Updated at
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