CHEBI:185760 - 1alpha,25-dihydroxy-23-thiavitamin D3

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ChEBI Name 1alpha,25-dihydroxy-23-thiavitamin D3
ChEBI ID CHEBI:185760
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O3S
Net Charge 0
Average Mass 434.680
Monoisotopic Mass 434.28547
InChI InChI=1S/C26H42O3S/c1-17(15-30-16-25(3,4)29)22-10-11-23-19(7-6-12-26(22,23)5)8-9-20-13-21(27)14-24(28)18(20)2/h8-9,17,21-24,27-29H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9+/t17?,21-,22?,23+,24+,26-/m1/s1
InChIKey QNEWRBHWHUMBFL-SCAFWPSGSA-N
SMILES S(CC(C1[C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3\C[C@@H](O)C[C@H](O)C3=C)[H])C)C)CC(O)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): 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.
(via vitamin D )
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ChEBI Ontology
Outgoing 1alpha,25-dihydroxy-23-thiavitamin D3 (CHEBI:185760) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aR)-1-[1-(2-hydroxy-2-methylpropyl)sulanylpropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual Xref Database
4944198 ChemSpider
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Registry Number Type Source
87480-00-0 CAS Registry Number ChemIDplus