Experimental Factor Ontology

Last uploaded: March 18, 2024
Preferred Name

calcitriol

Synonyms

(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol

Calcitriol

calcitriol

calcitriolum

(5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol

1alpha,25-dihydroxyvitamin D3

Decostriol

1alpha,25-dihydroxycholecalciferol

Rocaltrol

5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL

1alpha,25(OH)2D3

(1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol

(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol

1-alpha-25-Dihydroxyvitamin D3

Calcijex

1,25-DHCC

Definitions

A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol.

ID

http://purl.obolibrary.org/obo/CHEBI_17823

charge

0

database_cross_reference

MeSH:D002117

NCIt:C330

CAS:32222-06-3

PDBeChem:VDX

KEGG:C01673

Wikipedia:Calcitriol

DrugBank:DB00136

Drug_Central:466

PMID:22905919

PMID:23103122

Reaxys:2227647

LIPID_MAPS_instance:LMST03020258

PMID:6687801

PMID:20599255

PMID:10217585

PMID:23144765

PMID:15928596

Beilstein:2227647

MetaCyc:CALCITRIOL

PMID:19429426

KEGG:D00129

definition

A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol.

formula

C27H44O3

has_alternative_id

CHEBI:13932

CHEBI:46435

CHEBI:3307

CHEBI:19209

has_exact_synonym

(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol

Calcitriol

calcitriol

has_obo_namespace

chebi_ontology

has_related_synonym

calcitriolum

(5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol

1alpha,25-dihydroxyvitamin D3

Decostriol

1alpha,25-dihydroxycholecalciferol

Rocaltrol

5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL

1alpha,25(OH)2D3

(1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol

(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol

1-alpha-25-Dihydroxyvitamin D3

calcitriol

Calcijex

1,25-DHCC

has_role

http://purl.obolibrary.org/obo/CHEBI_33229

id

CHEBI:17823

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1

inchikey

GMRQFYUYWCNGIN-NKMMMXOESA-N

label

calcitriol

mass

416.63646

monoisotopicmass

416.32905

notation

CHEBI:17823

prefLabel

calcitriol

smiles

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O

subClassOf

http://purl.obolibrary.org/obo/CHEBI_27300

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http://purl.obolibrary.org/obo/CHEBI_17823 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 UPHENO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 ONSTR SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 HINO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_17823 ZP SAME_URI
http://purl.bioontology.org/ontology/RXNORM/1894 RXNORM LOOM
http://purl.obolibrary.org/obo/OMIT_0003459 OMIT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#2291 OCHV LOOM
http://purl.bioontology.org/ontology/VANDF/4021906 VANDF LOOM
http://www.drugbank.ca/drugs/DB00136 FTC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018585 PMAPP-PMO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D10.570.938.146.478.387.300 RH-MESH LOOM
http://purl.bioontology.org/ontology/MESH/D002117 MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0006674 OCHV LOOM
https://go.drugbank.com/drugs/DB00136 MDM LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 UPHENO LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 ONSTR LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 HINO LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_17823 ZP LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D002117 RH-MESH LOOM
http://purl.bioontology.org/ontology/ATC/D05AX03 ATC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/259333003 SNOMEDCT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.247.222.159.478.387.300 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDDF/001017 NDDF LOOM
http://purl.bioontology.org/ontology/ATC/A11CC04 ATC LOOM
http://purl.bioontology.org/ontology/LNC/LP15277-4 LOINC LOOM
http://localhost/plosthes.2017-1#76 PLOSTHES LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.247.808.146.478.387.300 RH-MESH LOOM
http://stirdf.jst.go.jp/id/200907055518531246 IOBC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146161 NDFRT LOOM
http://purl.bioontology.org/ontology/VANDF/4017800 VANDF LOOM
http://purl.bioontology.org/ontology/LNC/MTHU004891 LOINC LOOM
http://purl.obolibrary.org/obo/NCIT_C330 BERO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C330 NCIT LOOM
http://purl.bioontology.org/ontology/RCD/ip2.. RCD LOOM
http://purl.jp/bio/4/id/200906029741447880 IOBC LOOM
http://purl.obolibrary.org/obo/MESH_D002117 BERO LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000041919 PDQ LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.812.768.196.478.387.300 RH-MESH LOOM