Structure Database (LMSD)

Common Name
Pravastatin
Systematic Name
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Synonyms
LM ID
LMFA05000695
Formula
C23H36O7
Exact Mass
Calculate m/z
424.246105
Sum Composition
FOH 23:6;O6
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
TUZYXOIXSAXUGO-PZAWKZKUSA-N
InChi (Click to copy)
InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
SMILES (Click to copy)
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O)=C[C@@H](O)C[C@@H]2OC([C@@H](C)CC)=O

Other Databases

KEGG ID
C01844
HMDB ID
HMDB0005022
CHEBI ID
63618
PubChem CID
54687
GuidePharm ID
2953

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 2
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 432.71
Topological Polar Surface Area 124.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.59
Molar Refractivity 113.49

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Created at
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Updated at
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