Structure Database (LMSD)

Common Name
N-myristoyl-3-oxosphinganine
Systematic Name
N-tetradecanoyl-3-oxosphinganine
Synonyms
LM ID
LMSP02080002
Formula
C32H63NO3
Exact Mass
Calculate m/z
509.480794
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
3-keto Ceramides [SP0208]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Caulobacter vibrioides (#155892)
Alphaproteobacteria (#28211)
Convergent evolution of bacterial ceramide synthesis.,
Nat Chem Biol, 2022
Pubmed ID: 34969973

String Representations

InChiKey (Click to copy)
LGVOWFDBBQAFOS-PMERELPUSA-N
InChi (Click to copy)
InChI=1S/C32H63NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30,34H,3-29H2,1-2H3,(H,33,36)/t30-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
189536
PubChem CID
162422428

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 594.25
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 9.79
Molar Refractivity 156.42

Admin

Created at
4th Jul 2022
Updated at
4th Jul 2022