RefMet Compound Details

RefMet IDRM0135793
MW structure35795 (View MW Metabolite Database details)
RefMet name25-Hydroxyvitamin D3   Species distribution   Sample source distribution
Systematic name(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol
SMILESC=C1CC[C@@H](C/C/1=C/C=C/1\CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)CCCC(C)(C)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass400.334130 (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
FormulaC27H44O2View other entries in RefMet with this formula
InChIInChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1
,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
InChIKeyJWUBBDSIWDLEOM-DTOXIADCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSterol Lipids
Main ClassSecosterols
Sub ClassVitamin D3
Pubchem CID5283731
ChEBI ID17933
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 25-Hydroxyvitamin D3

Rxn IDKEGG ReactionEnzyme
R03610 Calcidiol + 2 Reduced adrenal ferredoxin + 2 H+ + Oxygen <=> Calcitriol + Oxidized adrenal ferredoxin + H2Ocalcidiol,adrenodoxin:oxygen oxidoreductase (1-hydroxylating)
R03611 Calcidiol + [Oxidized NADPH---hemoprotein reductase] + H2O <=> Vitamin D3 + [Reduced NADPH---hemoprotein reductase] + Oxygencalciol,NADPH-hemoprotein reductase:oxygen oxidoreductase (25-hydroxylating)
R09516 Calcidiol + 2 Reduced adrenal ferredoxin + 2 H+ + Oxygen <=> Secalciferol + 2 Oxidized adrenal ferredoxin + H2Ocalcidiol,adrenodoxin:oxygen oxidoreductase (24-hydroxylating)
R11458 Vitamin D3 + Oxygen + 2 Reduced ferredoxin + 2 H+ <=> Calcidiol + 2 Oxidized ferredoxin + H2Ocalciol,ferredoxin:oxygen oxidoreductase (1,25-hydroxylating)
R11459 Calcidiol + Oxygen + 2 Reduced ferredoxin + 2 H+ <=> Calcitriol + 2 Oxidized ferredoxin + H2OCalcidiol + Oxygen + 2 Reduced ferredoxin + 2 H+ <=> Calcitriol + 2 Oxidized ferredoxin + H2O

Table of KEGG human pathways containing 25-Hydroxyvitamin D3

Pathway IDHuman Pathway# of reactions
hsa00100 Steroid biosynthesis 3
hsa01100 Metabolic pathways 2
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