Structure database (LMSD)

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LM IDLMPR04000021
Common Name(5-D-ribonyl)hopane
Systematic Name-
Synonyms-
Exact Mass
542.4335 (neutral)    Calculate m/z:
FormulaC35H58O4
CategoryPrenol Lipids [PR]
Main ClassHopanoids [PR04]
Sub Class-
PubChem Compound ID (CID)42608328
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID-
InChIKeyPLERURUWQNDFGU-KTYDMQJHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H58O4/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/h21-29,36-37H,8
-20H2,1-7H3/t21-,22?,23?,24+,25?,26?,27?,28+,29+,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@@H](C)CC[C@H]1O
C(=O)[C@H](O)[C@@H]1O
StatusActive
SpeciesProteobacteria
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesPubMed ID: 17294511
Calculated physicochemical properties (?):
 Heavy Atoms39Rings6Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
572.42Topological Polar
Surface Area
68.83Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP8.40Molar
Refractivity
156.27    
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