Structure database (LMSD)

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LM IDLMPR04000009
Common Name35-aminobacteriohopane-30,31,32,33,34-pentol
Systematic Name-
Synonyms-
Exact Mass
577.4706 (neutral)    Calculate m/z:
FormulaC35H63NO5
CategoryPrenol Lipids [PR]
Main ClassHopanoids [PR04]
Sub Class-
PubChem Compound ID (CID)42608316
InChIKeyNSCULDDFRWOMLE-MBDNUQPFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H63NO5/c1-20(27(38)29(40)30(41)28(39)23(37)19-36)21-11-16-32(4)22(21
)12-17-34(6)25(32)9-10-26-33(5)15-8-14-31(2,3)24(33)13-18-35(26,34)7/h20-30,37-4
1H,8-19,36H2,1-7H3/t20?,21?,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)[C@@H](O)[C@@H
](O)[C@@H](O)[C@@H](O)[C@@H](O)CN
StatusActive
SpeciesProteobacteria
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesPubMed ID: 17294511
Calculated physicochemical properties (?):
 Heavy Atoms41Rings5Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
607.21Topological Polar
Surface Area
127.17Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
5
 logP6.59Molar
Refractivity
165.75    
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