Structure Database (LMSD)

Common Name
2R-methyl-tetrahymanol
Systematic Name
2R-methyl-tetrahymanol
Synonyms
  • 2-methyl-tetrahymanol
LM ID
LMPR04000035
Formula
C31H54O
Exact Mass
Calculate m/z
442.417465
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Hopanoids [PR04]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhodopseudomonas palustris (#1076)
Alphaproteobacteria (#28211)
Identification of a methylase required for 2-methylhopanoid production and implications for the interpretation of sedimentary hopanes.,
Proc Natl Acad Sci U S A, 2010
Pubmed ID: 20421508

String Representations

InChiKey (Click to copy)
IRUAZLSVSAWHSS-GDKFKXPASA-N
InChi (Click to copy)
InChI=1S/C31H54O/c1-20-18-26(2,3)21-12-16-31(9)24(29(21,7)19-20)11-10-23-28(6)15-14-25(32)27(4,5)22(28)13-17-30(23,31)8/h20-25,32H,10-19H2,1-9H3/t20-,21+,22+,23-,24-,25+,28+,29+,30-,31-/m1/s1
SMILES (Click to copy)
[C@]12([H])CC[C@]3([H])[C@@]4(C)CC[C@H](O)[C@@](C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C[C@@H](C)C[C@]21C

Other Databases

CHEBI ID
132463
PubChem CID
101124567

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 491.85
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.78
Molar Refractivity 135.80

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Created at
22nd Oct 2019
Updated at
22nd Oct 2019