Structure Database (LMSD)

Common Name
25-Azacholesterol
Systematic Name
Synonyms
LM ID
LMST01010212
Formula
C26H45NO
Exact Mass
Calculate m/z
387.350114
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
RZPPEFJMRVRCDD-XSLNCIIRSA-N
InChi (Click to copy)
InChI=1S/C26H45NO/c1-18(7-6-16-27(4)5)22-10-11-23-21-9-8-19-17-20(28)12-14-25(19,2)24(21)13-15-26(22,23)3/h8,18,20-24,28H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCN(C)C)CC[C@@]21[H])[H]

Other Databases

HMDB ID
HMDB0001028
PubChem CID
164906

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 426.07
Topological Polar Surface Area 23.47
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.48
Molar Refractivity 119.15

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Created at
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Updated at
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