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CHEBI:4591 - dihydrotachysterol

Default Structure
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
dihidrotaquisterolChemIDplus
dihydrotachysterolChemIDplus
dihydrotachysterolumChemIDplus
Synonyms  Source
Anti-tetany substance 10ChemIDplus
AT 10ChemIDplus
DihydrotachysterolKEGG COMPOUND
Dihydrotachysterol 2ChEMBL
Dihydrotachysterol2ChEMBL
Tachysterol dihydro derivativeChEMBL
Brand Names  Source
A.t. 10ChEMBL
DihydralChEMBL
DygratylChEMBL
HytakerolChEMBL
TachyrolChEMBL
Manual XrefsDatabases
2841DrugCentral
C06957KEGG COMPOUND
D00299KEGG DRUG
DB01070DrugBank
DihydrotachysterolWikipedia
LMST03010056LIPID MAPS
Registry NumbersSources
Reaxys:2062504Reaxys
CAS:67-96-9KEGG COMPOUND
Citations