Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR04000026
Common Name30,32-dihydroxy-2b-methyl-bishomohopane
Systematic Name-
Synonyms-
Exact Mass
486.4437 (neutral)    Calculate m/z:
FormulaC33H58O2
CategoryPrenol Lipids [PR]
Main ClassHopanoids [PR04]
Sub Class-
PubChem Compound ID (CID)42608333
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyAXPDPPZFZBKPKA-VJCYSTHDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C33H58O2/c1-21-19-29(3,4)26-13-17-33(8)28(31(26,6)20-21)10-9-27-30(5)15
-11-23(22(2)25(35)14-18-34)24(30)12-16-32(27,33)7/h21-28,34-35H,9-20H2,1-8H3/t21
-,22?,23?,24?,25?,26?,27?,28?,30+,31+,32-,33-/m1/s1
SMILESCC1(C)C[C@@H](C)C[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]1(C)CCC1C(CC[C@@]12C)C(C)C(O)CC
O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms35Rings5Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
535.24Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP8.67Molar
Refractivity
146.87    
logo LIPID MAPS is funded by a Wellcome Trust.