Structure Database (LMSD)

Common Name
Nonadecasphingosine
Systematic Name
nonadecasphing-4-enine
Synonyms
  • C19 sphing-4-enine
  • C19 sphingosine
  • (2S,3R,4E)-2-aminononadec-4-ene-1,3-diol
LM ID
LMSP01040010
Formula
C19H39NO2
Exact Mass
Calculate m/z
313.298079
Sum Composition
SPB 19:1;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base homologs and variants [SP0104]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Subunit composition of the mammalian serine-palmitoyltransferase defines the spectrum of straight and methyl-branched long-chain bases.,
Proc Natl Acad Sci U S A, 2020
Pubmed ID: 32576697

String Representations

InChiKey (Click to copy)
RYLBRSKITMRIJM-OVMWUVNSSA-N
InChi (Click to copy)
InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)18(20)17-21/h15-16,18-19,21-22H,2-14,17,20H2,1H3/b16-15+/t18-,19+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCCCC

Other Databases

PubChem CID
9883292

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 363.20
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 5.17
Molar Refractivity 97.42

Admin

Created at
12th Jun 2023
Updated at
12th Jun 2023