Structure Database (LMSD)
Common Name
27-hydroxy-cholesterol(25R)
Systematic Name
cholest-(25R)-5-en-3β,26-diol
Synonyms
LM ID
LMST01010088
Formula
Exact Mass
Calculate m/z
402.34978
Sum Composition
Status
Active
3D model of 27-hydroxy-cholesterol(25R)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
FYHRJWMENCALJY-YSQMORBQSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](C)CO)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
441.16
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
6.93
Molar Refractivity
121.47
Reactions
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Created at
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Updated at
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