Structure Database (LMSD)

H H H H HO
Common Name
7-dehydro-desmosterol
Systematic Name
cholest-5,7,24-trien-3β-ol
Synonyms
  • 24-Dehydroprovitamin D3
  • 7,8-Didehydrodesmosterol
LM ID
LMST01010121
Formula
C27H42O
Exact Mass
Calculate m/z
382.323565
Sum Composition
ST 27:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
RUSSPKPUXDSHNC-DDPQNLDTSA-N
InChi (Click to copy)
InChI=1S/C27H42O/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/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1[C@H](O)CC2=CC=C3[C@]4([H])CC[C@]([H])([C@]([H])(C)CC/C=C(\C)/C)[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1

References

Other Databases

KEGG ID
C05107
HMDB ID
HMDB0003896
CHEBI ID
27910
PubChem CID
440558
SwissLipids ID
SLM:000000461

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 427.09
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.52
Molar Refractivity 119.52

Reactions

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Reactions graph legend

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Created at
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Updated at
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