Structure database (LMSD)

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LM IDLMPR04000004
Common Namebacteriohopane-32,33,34,35-tetrol
Systematic Name-
Synonyms-
Exact Mass
546.4648 (neutral)    Calculate m/z:
FormulaC35H62O4
CategoryPrenol Lipids [PR]
Main ClassHopanoids [PR04]
Sub Class-
PubChem Compound ID (CID)42608311
InChIKeyJMKBTQYGOKJMBJ-TVWNWXJJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-3
4(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21
H2,1-7H3/t22?,23?,24?,25-,26+,27?,28?,29?,30?,32+,33+,34-,35-/m1/s1
SMILES-
StatusActive
SpeciesProteobacteria
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesPubMed ID: 17294511
Calculated physicochemical properties (?):
 Heavy Atoms39Rings5Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
587.42Topological Polar
Surface Area
80.92Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP8.11Molar
Refractivity
159.98    
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