Structure Database (LMSD)

Common Name
5alpha-cholesta-7,24-dien-3beta-ol
Systematic Name
5α-cholesta-7,24-dien-3β-ol
Synonyms
  • (3beta,5alpha)-cholesta-7,24-dien-3-ol
  • 5alpha-Cholesta-7,24-dien-3beta-ol
  • cholesta-7,24-dien-3-ol
LM ID
LMST01010206
Formula
C27H44O
Exact Mass
Calculate m/z
384.339215
Sum Composition
ST 27:2;O
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]

Reactions

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String Representations

InChiKey (Click to copy)
PKEPPDGGTSZLBL-SKCNUYALSA-N
InChi (Click to copy)
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C12[C@]([C@]3(C)[C@](CC=1)([H])C[C@@H](O)CC3)([H])CC[C@]1(C)[C@@]([H])([C@H](C)CC/C=C(/C)\C)CC[C@@]21[H]

Other Databases

KEGG ID
C05439
CHEBI ID
16290
PubChem CID
5459827
SwissLipids ID
SLM:000000469

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 429.73
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.60
Molar Refractivity 119.54

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Created at
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Updated at
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