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: calciol
Accession: CHEBI:28940
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Definition: A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.
Synonyms: related_synonym: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL; (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol; (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol; CC; Cholecalciferol; Delta-D; Formula=C27H44O; InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1; InChIKey=QYSXJUFSXHHAJI-YRZJJWOYSA-N; SMILES=[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C; activated 7-dehydrocholesterol; colecalciferol; oleovitamin D3; vitamin D3
alt_id: CHEBI:10008; CHEBI:23170; CHEBI:46283
xref: Beilstein:2339331; CAS:67-97-0; DrugBank:DB00169; Drug_Central:2840; Gmelin:1267613; HMDB:HMDB0000876; KEGG:C05443; KEGG:D00188; LIPID_MAPS_instance:LMST03020000; LIPID_MAPS_instance:LMST03020001
xref_mesh: MESH:D002762
xref: PDBeChem:VD3; PMID:10347174; PMID:11493580; PMID:12174089; PMID:12955389; PMID:15214747; PMID:15876428; PMID:16886665; PMID:17156784; PMID:184223; PMID:19817701; PMID:23964472; PMID:24304198; PMID:2838261; PMID:2997282; PMID:3494111; PMID:6265326; PMID:9627702; PPDB:160; Reaxys:2339331; Wikipedia:Cholecalciferol
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Path 1
CHEBI ontology
20089
role
20042
biological role
20011
molecular messenger
18626
hormone
18518
steroid hormone
7865
calciol
2625
(24R)-1alpha,24-dihydroxy-22-oxavitamin D3
0
1alpha,23(S),25-trihydroxyvitamin D3
0
1alpha,2beta,25-trihydroxy vitamin D3
0
5,6-trans-vitamin D3
0
alfacalcidol
25
hydroxycalciol +
2480
oxocalciol +
0
tacalcitol
0
Path 2
CHEBI ontology
20089
subatomic particle
20058
composite particle
20058
hadron
20088
baryon
20088
nucleon
20088
atomic nucleus
20088
atom
20058
main group element atom
19960
p-block element atom
19990
carbon group element atom
19916
carbon atom
19909
organic molecular entity
19909
organic molecule
19856
organic cyclic compound
19612
organic polycyclic compound
17201
steroid
14380
hydroxy steroid
14111
hydroxy seco-steroid
2683
vitamin D
2677
D3 vitamins
2626
calciol
2625
(24R)-1alpha,24-dihydroxy-22-oxavitamin D3
0
1alpha,23(S),25-trihydroxyvitamin D3
0
1alpha,2beta,25-trihydroxy vitamin D3
0
5,6-trans-vitamin D3
0
alfacalcidol
25
hydroxycalciol +
2480
oxocalciol +
0
tacalcitol
0