Structure database (LMSD)

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LM IDLMPR04000015
Common NameN-ornithinyl-35-aminobacteriohopane-32,33,34-triol
Systematic Name-
Synonyms-
Exact Mass
659.5601 (neutral)    Calculate m/z:
FormulaC40H73N3O4
CategoryPrenol Lipids [PR]
Main ClassHopanoids [PR04]
Sub Class-
PubChem Compound ID (CID)42608322
InChIKeyOGGRAXQKORUETR-WCDIYWTISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C40H73N3O4/c1-25(11-12-29(44)34(46)30(45)24-43-35(47)28(42)10-8-23-41)2
6-15-20-37(4)27(26)16-21-39(6)32(37)13-14-33-38(5)19-9-18-36(2,3)31(38)17-22-40(
33,39)7/h25-34,44-46H,8-24,41-42H2,1-7H3,(H,43,47)/t25?,26?,27?,28-,29+,30-,31?,
32?,33?,34+,37-,38-,39+,40+/m0/s1
SMILESCC1(C)CCC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]1(C)CCC1C(CC[C@@]12C)C(C)CC[C@@H](O)[C@
@H](O)[C@@H](O)CNC(=O)[C@@H](N)CCCN
StatusActive
SpeciesProteobacteria
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesPubMed ID: 17294511
Calculated physicochemical properties (?):
 Heavy Atoms47Rings5Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
704.28Topological Polar
Surface Area
141.83Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
4
 logP7.87Molar
Refractivity
193.17    
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