Structure Database (LMSD)

OH H H NH OH O OH
Common Name
Cer(d14:2(4E,6E)/20:1(11Z)(2OH))
Systematic Name
N-(2-hydroxy-11Z-eicosenoyl)-4E,6E-tetradecasphingadienine
Synonyms
  • Cer[AS]
LM ID
LMSP02010077
Formula
C34H63NO4
Exact Mass
Calculate m/z
549.475709
Sum Composition
Cer 34:3;O3
Abbrev Chains
Cer 14:2;O2/20:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
IWEBGSCUIOVUAN-XDWZGQLBSA-N
InChi (Click to copy)
InChI=1S/C34H63NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-33(38)34(39)35-31(30-36)32(37)28-26-24-22-20-12-10-8-6-4-2/h15-16,22,24,26,28,31-33,36-38H,3-14,17-21,23,25,27,29-30H2,1-2H3,(H,35,39)/b16-15-,24-22+,28-26+/t31-,32+,33?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Drosophila melanogaster (#7227)
Insecta (#50557)
Biochemical membrane lipidomics during Drosophila development.,
Dev Cell, 2013
Pubmed ID: 23260625

Other Databases

PubChem CID
70698964

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 632.36
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 9.23
Molar Refractivity 168.78

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Updated at
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