Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR04000000
Common NameHopane skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategoryPrenol Lipids [PR]
Main ClassHopanoids [PR04]
Sub Class-
PubChem Compound ID (CID)-
InChIKeyAZSXWSHKMWOAPJ-PYQRSULMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-
15-26(3,4)23(28)14-19-30(25,29)8/h13,18,20-25H,9-12,14-17,19H2,1-8H3/t21-,22+,23
+,24-,25-,27+,28+,29-,30-/m1/s1
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]1(C)C=C[C@H]1[C@H](CC[C@]2
1C)C(C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
463.12Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.91Molar
Refractivity
129.19    
logo LIPID MAPS is funded by a Wellcome Trust.