Structure database (LMSD)

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LM IDLMST02030088
Common NamePregnenolone (W)
Systematic Name3β-hydroxypregn-5-en-20-one
Synonyms-
Exact Mass
316.2402 (neutral)    Calculate m/z:
FormulaC21H32O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem Substance ID (SID)24702313
METABOLOMICS ID-
KEGG IDC01953
HMDB IDHMDB00253
YMDB ID-
CHEBI ID16581
InChIKeyORNBQBCIOKFOEO-QGVNFLHTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,
18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings4Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
334.72Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.80Molar
Refractivity
92.39    
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