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
Aromatic Rings
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