Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010057
Common Name27-hydroxy-cholesterol
Systematic Namecholest-5-en-3β,26-diol
Synonyms26-hydroxy-cholesterol
Exact Mass
402.3498 (neutral)    Calculate m/z:
FormulaC27H46O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
AbbrevST 27:1;O2
LIPIDBANK IDSST9042
PubChem CID99470
KEGG IDC15610
HMDB IDHMDB0062328
CHEBI ID17703
SWISSLIPIDS IDSLM:000399828
InChIKeyFYHRJWMENCALJY-CCDZVGGQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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SMILES
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)CO)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume		441.16Topological Polar
Surface Area		40.46Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		2
 logP6.93Molar
Refractivity		121.47