CHEBI:173181 - (20S)-1alpha,20,25-trihydroxy-24-norvitamin D3/(20S)-1alpha,20,25-trihydroxy-24-norcholecalciferol

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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-trihydroxy-24-norvitamin D3/(20S)-1alpha,20,25-trihydroxy-24-norcholecalciferol
ChEBI ID CHEBI:173181
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O4
Net Charge 0
Average Mass 418.618
Monoisotopic Mass 418.30831
InChI InChI=1S/C26H42O4/c1-17-19(15-20(27)16-22(17)28)9-8-18-7-6-12-25(4)21(18)10-11-23(25)26(5,30)14-13-24(2,3)29/h8-9,20-23,27-30H,1,6-7,10-16H2,2-5H3/b18-8+,19-9-/t20-,21+,22+,23+,25+,26+/m1/s1
InChIKey LZTXMVHOUSVQPL-XLDAUDPLSA-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])(CCC(O)(C)C)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). of strain [] 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 (20S)-1alpha,20,25-trihydroxy-24-norvitamin D3/(20S)-1alpha,20,25-trihydroxy-24-norcholecalciferol (CHEBI:173181) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(2S)-2,5-dihydroxy-5-methylhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual Xrefs Databases
7826256 ChemSpider
LMST03020064 LIPID MAPS
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