Structure Database (LMSD)

Common Name
Cer(d14:1(4E)/22:1(13Z)(2OH))
Systematic Name
N-(2-hydroxy-13Z-docosenoyl)-tetradecasphing-4-enine
Synonyms
  • Cer[AS]
LM ID
LMSP02010071
Formula
C36H69NO4
Exact Mass
Calculate m/z
579.522659
Sum Composition
Cer 36:2;O3
Abbrev Chains
Cer 14:1;O2/22:1;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)
KIHOZIDRMOZXBQ-KQXGYKHSSA-N
InChi (Click to copy)
InChI=1S/C36H69NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-12-10-8-6-4-2/h15-16,28,30,33-35,38-40H,3-14,17-27,29,31-32H2,1-2H3,(H,37,41)/b16-15-,30-28+/t33-,34+,35?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC

Other Databases

PubChem CID
70698958

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 669.60
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 10.23
Molar Refractivity 178.11

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Updated at
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