CHEBI:185801 - 24a,24b-Dihomo-9,10-secocholesta-5,7,10(19),24a-tetraen-1alpha,3,25-triol

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ChEBI Name 24a,24b-Dihomo-9,10-secocholesta-5,7,10(19),24a-tetraen-1alpha,3,25-triol
ChEBI ID CHEBI:185801
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H44O3
Net Charge 0
Average Mass 440.668
Monoisotopic Mass 440.32905
InChI InChI=1S/C29H44O3/c1-20(10-7-6-8-16-28(3,4)32)25-14-15-26-22(11-9-17-29(25,26)5)12-13-23-18-24(30)19-27(31)21(23)2/h8,12-14,16,20,24,26-27,30-32H,2,6-7,9-11,15,17-19H2,1,3-5H3/b16-8+,22-12+,23-13-/t20-,24-,26+,27+,29-/m1/s1
InChIKey SFWPJGMGUWDJCE-NLCTUAMCSA-N
SMILES O[C@@H]1C\C(=C\C=C/2\[C@]3([C@@](C(=CC3)[C@@H](CCC/C=C/C(O)(C)C)C)(CCC2)C)[H])\C([C@@H](O)C1)=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 24a,24b-Dihomo-9,10-secocholesta-5,7,10(19),24a-tetraen-1alpha,3,25-triol (CHEBI:185801) is a vitamin D (CHEBI:27300)
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(E,2R)-8-hydroxy-8-methylnon-6-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Manual Xrefs Databases
24823366 ChemSpider
LMST03020623 LIPID MAPS
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