Structure Database (LMSD)
Common Name
C16 Sphinganine
Systematic Name
hexadecasphinganine
Synonyms
LM ID
LMSP01040001
Formula
Exact Mass
Calculate m/z
273.266779
Sum Composition
Status
Active
3D model of C16 Sphinganine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Caenorhabditis elegans
(#6239)
Chromadorea
(#119089)
In-Depth Characterization of Sphingoid Bases via Radical-Directed Dissociation Tandem Mass Spectrometry.,
J Am Soc Mass Spectrom, 2023
J Am Soc Mass Spectrom, 2023
Pubmed ID:
37735971
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
String Representations
InChiKey (Click to copy)
ZKLREJQHRKUJHD-JKSUJKDBSA-N
InChi (Click to copy)
InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15-16,18-19H,2-14,17H2,1H3/t15-,16+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
313.94
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
4.23
Molar Refractivity
83.66
Admin
Created at
-
Updated at
30th Oct 2023