Structure Database (LMSD)

Common Name
Cer(d14:2(4E,6E)/18:1(9Z)(2OH))
Systematic Name
N-(2-hydroxy-9Z-octadecenoyl)-4E,6E-tetradecasphingadienine
Synonyms
  • Cer[AS]
LM ID
LMSP02010075
Formula
C32H59NO4
Exact Mass
Calculate m/z
521.444409
Sum Composition
Cer 32:3;O3
Abbrev Chains
Cer 14:2;O2/18:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
NHHBVFLFFZXGOQ-BMXYDZIQSA-N
InChi (Click to copy)
InChI=1S/C32H59NO4/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-31(36)32(37)33-29(28-34)30(35)26-24-22-20-18-12-10-8-6-4-2/h15-16,20,22,24,26,29-31,34-36H,3-14,17-19,21,23,25,27-28H2,1-2H3,(H,33,37)/b16-15-,22-20+,26-24+/t29-,30+,31?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC

Other Databases

PubChem CID
70698962

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 597.76
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 8.45
Molar Refractivity 159.55

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Updated at
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