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

ChEBI IDCHEBI:185801
ChEBI Name24a,24b-Dihomo-9,10-secocholesta-5,7,10(19),24a-tetraen-1alpha,3,25-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O3
Net Charge0
Average Mass440.668
Monoisotopic Mass440.32905
SMILES[H][C@@]12CC=C([C@H](C)CCC/C=C/C(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
InChIInChI=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
InChIKeySFWPJGMGUWDJCE-NLCTUAMCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
LMST03020623LIPID MAPS
24823366ChemSpider