Structure database (LMSD)

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LM IDLMPR04000028
Common NameRibosylhopane
Systematic Name-
Synonyms-
Exact Mass
544.4492 (neutral)    Calculate m/z:
FormulaC35H60O4
CategoryPrenol Lipids [PR]
Main ClassHopanoids [PR04]
Sub Class-
PubChem Compound ID (CID)42608335
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyAGSPYXOEGPQCDH-DGGLOESNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H60O4/c1-21(9-10-24-28(36)29(37)30(38)39-24)22-13-18-32(4)23(22)14-1
9-34(6)26(32)11-12-27-33(5)17-8-16-31(2,3)25(33)15-20-35(27,34)7/h21-30,36-38H,8
-20H2,1-7H3/t21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32-,33-,34+,35+/m0/s1
SMILESCC1(C)CCC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]1(C)CCC1C(CC[C@@]12C)C(C)CCC1OC(O)C(O)C
1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings6Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
575.06Topological Polar
Surface Area
71.99Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP8.48Molar
Refractivity
157.79    
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