Structure database (LMSD)

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LM IDLMST01010088
Common Name27-hydroxy-cholesterol(25R)
Systematic Namecholest-(25R)-5-en-3β,26-diol
Synonyms-
Exact Mass
402.3498 (neutral)    Calculate m/z:
FormulaC27H46O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID123976
KEGG IDC06340
HMDB IDHMDB0002103
CHEBI ID16546
SWISSLIPIDS IDSLM:000399821
CAYMAN ID14790
InChIKeyFYHRJWMENCALJY-YSQMORBQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](C)CO)CC[C@@]4([H
])[C@]3([H])CC=C2C[C@@H](O)C1
MS StandardView lipid standard
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