Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01080021
Common NameSulfamisterin
Systematic Name-
Synonyms-
Exact Mass
461.2059 (neutral)    Calculate m/z:
FormulaC19H36NNaO8S
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID42608357
InChIKeyPGDNRSKECWNWIQ-ZFNKBKEPSA-M  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H37NO8S.Na/c1-2-3-4-9-12-16(22)13-10-7-5-6-8-11-14-17(28-29(25,26)27
)19(20,15-21)18(23)24;/h17,21H,2-15,20H2,1H3,(H,23,24)(H,25,26,27);/q;+1/p-1/t17
-,19+;/m1./s1
SMILESC([C@](C(O)=O)(N)[C@H](OS(O[Na])(=O)=O)CCCCCCCCC(=O)CCCCCC)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
473.57Topological Polar
Surface Area
153.22Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
8
 logP1.47Molar
Refractivity
114.53