Structure Database (LMSD)

OH H NH OH O OH H
Common Name
Cer(d15:2(4E,6E)/22:0(2OH))
Systematic Name
N-(2-hydroxy-docosanoyl)-4E,6E-pentadecasphingadienine
Synonyms
  • Cer[AS]
LM ID
LMSP02010082
Formula
C37H71NO4
Exact Mass
Calculate m/z
593.538309
Sum Composition
Cer 37:2;O3
Abbrev Chains
Cer 15:2;O2/22:0;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)
AGDAOYNFNBDNFU-DMICEGFCSA-N
InChi (Click to copy)
InChI=1S/C37H71NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-36(41)37(42)38-34(33-39)35(40)31-29-27-25-23-14-12-10-8-6-4-2/h25,27,29,31,34-36,39-41H,3-24,26,28,30,32-33H2,1-2H3,(H,38,42)/b27-25+,31-29+/t34-,35+,36?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCC

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
70698969

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 686.90
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 10.62
Molar Refractivity 182.73

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Updated at
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