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CHEBI:4591 - dihydrotachysterol

ChEBI IDCHEBI:4591
ChEBI Namedihydrotachysterol
Stars
DefinitionA hydroxy seco-steroid that is 9,10-secoergosta-5,7,22-triene substituted by a hydroxy group at position 3. A synthetic analogue of vitamin D that acts a bone density conservation agent.
Last Modified22 February 2017
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CCC/C2=C\C=C1/C[C@@H](O)CC[C@@H]1C
InChIInChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1
InChIKeyILYCWAKSDCYMBB-OPCMSESCSA-N
Wikipedia
Roles Classification
Biological Role:
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.
Application:
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)
dihydrotachysterol (CHEBI:4591) has role bone density conservation agent (CHEBI:50646)
dihydrotachysterol (CHEBI:4591) is a hydroxy seco-steroid (CHEBI:36853)
dihydrotachysterol (CHEBI:4591) is a seco-ergostane (CHEBI:36819)
dihydrotachysterol (CHEBI:4591) is a vitamin D (CHEBI:27300)
IUPAC Name 
(3S,5E,7E,10S,22E)-9,10-secoergosta-5,7,22-trien-3-ol
INNs  Source
dihydrotachysterolChemIDplus
dihidrotaquisterolChemIDplus
dihydrotachysterolumChemIDplus
Synonyms  Source
DihydrotachysterolKEGG COMPOUND
AT 10ChemIDplus
Anti-tetany substance 10ChemIDplus
Manual XrefsDatabases
C06957KEGG COMPOUND
D00299KEGG DRUG
DB01070DrugBank
LMST03010056LIPID MAPS
DihydrotachysterolWikipedia
2841DrugCentral
Registry NumbersSources
Reaxys:2062504Reaxys
CAS:67-96-9KEGG COMPOUND
Citations