LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

(8Z,d18:1) sphingosine

Systematic Name

Sphing-8Z-enine

Synonyms

LM ID

LMSP01080008

Formula

C₁₈H₃₇NO₂

Exact Mass

Calculate m/z

299.282429

Sum Composition

SPB 18:1;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

QFTGJVWBKDHFND-FWGLOVMOSA-N

InChi (Click to copy)

InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h10-11,17-18,20-21H,2-9,12-16,19H2,1H3/b11-10-/t17-,18+/m0/s1

SMILES (Click to copy)

C([C@H](N)[C@H](O)CCCC/C=C\CCCCCCCCC)O

References

Other Databases

CHEBI ID

186760

PubChem CID

42608348

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 0

Aromatic Rings 0

Rotatable Bonds 15

Van der Waals Molecular Volume 345.90

Topological Polar Surface Area 66.48

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 2

logP 4.78

Molar Refractivity 92.80

Admin

Created at

Updated at