CHEBI:166750 - (20S)-1alpha,20,25-Trihydroxyvitamin D3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (20S)-1alpha,20,25-Trihydroxyvitamin D3
ChEBI ID CHEBI:166750
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44O4
Net Charge 0
Average Mass 432.645
Monoisotopic Mass 432.32396
InChI InChI=1S/C27H44O4/c1-18-20(16-21(28)17-23(18)29)10-9-19-8-6-14-26(4)22(19)11-12-24(26)27(5,31)15-7-13-25(2,3)30/h9-10,21-24,28-31H,1,6-8,11-17H2,2-5H3/b19-9+,20-10-/t21-,22+,23+,24+,26+,27+/m1/s1
InChIKey XIVGHFZETSYMIB-DACLUIDISA-N
SMILES O[C@]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)[H])C)[H])(CCCC(O)(C)C)C
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 (20S)-1alpha,20,25-Trihydroxyvitamin D3 (CHEBI:166750) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual Xrefs Databases
4446843 ChemSpider
LMST03020290 LIPID MAPS
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