Structure Database (LMSD)

OH H H NH OH O OH
Common Name
Cer(d14:1(4E)/20:1(11Z)(2OH))
Systematic Name
N-(2-hydroxy-11Z-eicosenoyl)-tetradecasphing-4-enine
Synonyms
  • Cer[AS]
LM ID
LMSP02010069
Formula
C34H65NO4
Exact Mass
Calculate m/z
551.491359
Sum Composition
Cer 34:2;O3
Abbrev Chains
Cer 14:1;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)
NUSSYYOOAQDOJF-YECFGNMQSA-N
InChi (Click to copy)
InChI=1S/C34H65NO4/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/h15-16,26,28,31-33,36-38H,3-14,17-25,27,29-30H2,1-2H3,(H,35,39)/b16-15-,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/CCCCCCCCC

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
70698956

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 635.00
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 9.45
Molar Refractivity 168.88

Admin

Created at
-
Updated at
-