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'R)-(2"-hydroxy-2"-propyl)-(2'S)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3
Accession: CHEBI:139029
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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-[(2S,5R)-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-WKBHYAOGSA-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
19915
role
19885
biological role
19883
pharmacological role
19087
agonist
18603
vitamin D receptor agonist
0
(1S,3R)-dihydroxy-(20S)-[(5'R)-(2"-hydroxy-2"-propyl)-(2'S)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3
0
Path 2
CHEBI ontology
19915
subatomic particle
19913
composite particle
19895
hadron
19895
baryon
19913
nucleon
19895
atomic nucleus
19913
atom
19895
main group element atom
19852
p-block element atom
19834
carbon group element atom
19774
carbon atom
19770
organic molecular entity
19770
organic molecule
19722
organic cyclic compound
19529
organic polycyclic compound
17289
steroid
14709
hydroxy steroid
14470
hydroxy seco-steroid
2702
vitamin D
2697
D3 vitamins
2643
calciol
2644
hydroxycalciol
2491
(1S,3R)-dihydroxy-(20S)-[(5'R)-(2"-hydroxy-2"-propyl)-(2'S)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3
0