LIPID MAPS

Structure Database (LMSD)

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Common Name

iso (13-methyl-d14:1) sphingosine

Systematic Name

13-methyl-tetradecasphing-4E-enine

Synonyms

LM ID

LMSP01040014

Formula

C₁₅H₃₁NO₂

Exact Mass

Calculate m/z

257.235479

Sum Composition

SPB 15:1;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)

PUOYCUFZRQIQEL-XXQUSICCSA-N

InChi (Click to copy)

InChI=1S/C15H31NO2/c1-13(2)10-8-6-4-3-5-7-9-11-15(18)14(16)12-17/h9,11,13-15,17-18H,3-8,10,12,16H2,1-2H3/b11-9+/t14-,15+/m0/s1

SMILES (Click to copy)

[C@](CO)([H])(N)[C@]([H])(O)/C=C/CCCCCCCC(C)C

Other Databases

PubChem CID

171117789

Calculated Physicochemical Properties

Heavy Atoms 18

Rings

Aromatic Rings

Rotatable Bonds 11

Van der Waals Molecular Volume 294.00

Topological Polar Surface Area 66.48

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 3

logP 3.47

Molar Refractivity 78.88

Admin

Created at

30th Oct 2023

Updated at