LIPID MAPS

Structure Database (LMSD)

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Common Name

Eicosasphinganine

Systematic Name

eicosasphinganine

Synonyms

C20 sphinganine
(2S,3R,4E)-2-aminoeicosane-1,3-diol

LM ID

LMSP01040011

Formula

C₂₀H₄₃NO₂

Exact Mass

Calculate m/z

329.329379

Sum Composition

SPB 20:0;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

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

Pubmed ID: 37735971

String Representations

InChiKey (Click to copy)

UFMHYBVQZSPWSS-VQTJNVASSA-N

InChi (Click to copy)

InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/t19-,20+/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(N)[C@]([H])(O)CCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID

64905

PubChem CID

11616885

Calculated Physicochemical Properties

Heavy Atoms 23

Rings

Aromatic Rings

Rotatable Bonds 18

Van der Waals Molecular Volume 383.14

Topological Polar Surface Area 66.48

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 3

logP 5.79

Molar Refractivity 102.13

Admin

Created at

30th Oct 2023

Updated at