CHEBI:86319 - 25-hydroxyvitamin D2

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ChEBI Name 25-hydroxyvitamin D2
ChEBI ID CHEBI:86319
ChEBI ASCII Name 25-hydroxyvitamin D2
Definition A hydroxycalciol that is vitamin D2 in which the hydrogen at position 25 has been replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C28H44O2
Net Charge 0
Average Mass 412.64780
Monoisotopic Mass 412.33413
InChI InChI=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
InChIKey KJKIIUAXZGLUND-ICCVIKJNSA-N
SMILES C[C@H](\C=C\[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): 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.
(via vitamin D )
Application(s): 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.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
25-Hydroxycalciferol HMDB
25-hydroxyergocalciferol LIPID MAPS
25-hydroxyvitamin D2 UniProt
9,10-secoergosta-5,7,10(19),22-tetraene-3β,25-diol HMDB
ercalcidiol HMDB
Manual Xrefs Databases
HMDB0001438 HMDB
LMST03010030 LIPID MAPS
View more database links
Registry Numbers Types Sources
21343-40-8 CAS Registry Number ChemIDplus
4716773 Reaxys Registry Number Reaxys
Citations Types Sources
15465040 PubMed citation SUBMITTER
25125396 PubMed citation Europe PMC
25211403 PubMed citation Europe PMC
25403087 PubMed citation Europe PMC
25575651 PubMed citation Europe PMC
25587834 PubMed citation Europe PMC
25729734 PubMed citation Europe PMC
25845705 PubMed citation Europe PMC
25967149 PubMed citation Europe PMC
26025465 PubMed citation Europe PMC
26054580 PubMed citation Europe PMC
26059899 PubMed citation Europe PMC
Last Modified
23 October 2015