Structure Database (LMSD)

OH H H H H
Common Name
Tetrahymanol
Systematic Name
Synonyms
  • gammaceran-3beta-ol
  • Wallichiniol
LM ID
LMPR0106210001
Formula
C30H52O
Exact Mass
Calculate m/z
428.401815
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Arborinane and stictane triterpenoids [PR010621]

String Representations

InChiKey (Click to copy)
BFNSRKHIVITRJP-VJBYBJRLSA-N
InChi (Click to copy)
InChI=1S/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1
SMILES (Click to copy)
[C@@]12(C)CC[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tetrahymena pyriformis (#5908)
Oligohymenophorea (#6020)
The Isolation of a Pentacyclic Triterpenoid Alcohol from a Protozoan,
J Am Chem Soc, 1963

Other Databases

Wikipedia
Tetrahymanol
KEGG ID
C06083
HMDB ID
HMDB0006836
CHEBI ID
9493
PubChem CID
168951

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 474.55
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.54
Molar Refractivity 131.26

Admin

Created at
-
Updated at
22nd Mar 2024