RefMet Compound Details

RefMet IDRM0135645
MW structure34378 (View MW Metabolite Database details)
RefMet name25-Hydroxycholesterol   Species distribution   Sample source distribution
Systematic namecholest-5-en-3beta,25-diol
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionST 27:1;O2 View other entries in RefMet with this sum composition
Exact mass402.349780 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC27H46O2View other entries in RefMet with this formula
InChIInChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-
7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyINBGSXNNRGWLJU-ZHHJOTBYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSterols
Sub ClassOxysterols
Pubchem CID65094
ChEBI ID42977
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 25-Hydroxycholesterol

Rxn IDKEGG ReactionEnzyme
R07209 25-Hydroxycholesterol + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> Cholest-5-ene-3beta,7alpha,25-triol + [Oxidized NADPH---hemoprotein reductase] + H2Ocholest-5-ene-3beta,25-diol,[NADPH---hemoprotein reductase]:oxygen oxidoreductase (7alpha-hydroxylating)
R07218 Cholesterol + Reduced acceptor + Oxygen <=> 25-Hydroxycholesterol + Acceptor + H2Ocholesterol,hydrogen-donor:oxygen oxidoreductase (25-hydroxylating)

Table of KEGG human pathways containing 25-Hydroxycholesterol

Pathway IDHuman Pathway# of reactions
hsa00120 Primary bile acid biosynthesis 2
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