Structure Database (LMSD)

OH H NH OH O OH H
Common Name
Cer(d16:1(4E)/24:0(2OH))
Systematic Name
N-(2-hydroxy-tetracosanoyl)-hexadecasphing-4-enine
Synonyms
  • Cer[AS]
LM ID
LMSP02010086
Formula
C40H79NO4
Exact Mass
Calculate m/z
637.600909
Sum Composition
Cer 40:1;O3
Abbrev Chains
Cer 16:1;O2/24:0;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)
FLPBJVOYHZWCLM-DAEKEIETSA-N
InChi (Click to copy)
InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-14-12-10-8-6-4-2/h32,34,37-39,42-44H,3-31,33,35-36H2,1-2H3,(H,41,45)/b34-32+/t37-,38+,39?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC

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

CHEBI ID
143711
PubChem CID
70698973

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 741.44
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 12.02
Molar Refractivity 196.67

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Created at
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Updated at
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