CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: (1S,3R)-dihydroxy-(20S)-[(5'S)-(2"-hydroxy-2"-propyl)-(2'R)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3
Accession: CHEBI:139028
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Definition: A hydroxycalciol that is a synthetic analogue of vitamin D3 which contains an oxolane ring and exhibits weak vitamin D receptor agonist activity
Synonyms: exact_synonym: (1R,3R,5Z,7E,9xi,20S)-20-[(2R,5S)-5-(2-hydroxypropan-2-yl)oxolan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol
related_synonym: Formula=C28H44O4; InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23?,24+,25+,26-,28+/m0/s1; InChIKey=DDIWZQGTNVZJGO-AOWJSLKNSA-N; SMILES=C1[C@]2([C@](/C(=C/C=C/3\\C([C@@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)[C@]4(CC[C@](O4)(C(C)(C)O)[H])[H])[H])[H])C
xref: PMID:28399453
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
22279
role
22263
biological role
22262
pharmacological role
19857
agonist
19328
vitamin D receptor agonist
0
(1S,3R)-dihydroxy-(20S)-[(5'S)-(2"-hydroxy-2"-propyl)-(2'R)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3
0
Path 2
CHEBI ontology
22279
subatomic particle
22273
composite particle
22273
hadron
22273
baryon
22273
nucleon
22273
atomic nucleus
22273
atom
22273
main group element atom
22152
p-block element atom
22152
carbon group element atom
21955
carbon atom
21895
organic molecular entity
21895
organic molecule
21723
organic cyclic compound
21337
organic polycyclic compound
18000
steroid
14906
hydroxy steroid
14642
hydroxy seco-steroid
2728
vitamin D
2723
D3 vitamins
2668
calciol
2668
hydroxycalciol
2513
(1S,3R)-dihydroxy-(20S)-[(5'S)-(2"-hydroxy-2"-propyl)-(2'R)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3
0