EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86319 - 25-hydroxyvitamin D2

ChEBI IDCHEBI:86319
ChEBI Name25-hydroxyvitamin D2
Stars
ASCII Name25-hydroxyvitamin D2
DefinitionA hydroxycalciol that is vitamin D2 in which the hydrogen at position 25 has been replaced by a hydroxy group.
Last Modified23 October 2015
Submitternhn
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1
InChIKeyKJKIIUAXZGLUND-ICCVIKJNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (15465040)
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
Applications:
nutraceutical  A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
ChEBI Ontology
Outgoing Relation(s)
25-hydroxyvitamin D2 (CHEBI:86319) has functional parent vitamin D2 (CHEBI:28934)
25-hydroxyvitamin D2 (CHEBI:86319) has role bone density conservation agent (CHEBI:50646)
25-hydroxyvitamin D2 (CHEBI:86319) has role human xenobiotic metabolite (CHEBI:76967)
25-hydroxyvitamin D2 (CHEBI:86319) has role nutraceutical (CHEBI:50733)
25-hydroxyvitamin D2 (CHEBI:86319) is a hydroxycalciol (CHEBI:47042)
25-hydroxyvitamin D2 (CHEBI:86319) is a seco-ergostane (CHEBI:36819)
25-hydroxyvitamin D2 (CHEBI:86319) is a vitamin D (CHEBI:27300)
IUPAC Name 
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-3,25-diol
Synonyms  Source
25-HydroxycalciferolHMDB
25-hydroxyergocalciferolLIPID MAPS
9,10-secoergosta-5,7,10(19),22-tetraene-3β,25-diolHMDB
ercalcidiolHMDB
UniProt Name  Source
25-hydroxyvitamin D2UniProt
Manual XrefsDatabases
HMDB0001438HMDB
LMST03010030LIPID MAPS
Registry NumbersSources
Reaxys:4716773Reaxys
CAS:21343-40-8ChemIDplus
Citations