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CHEBI:173059 - (5E,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol

ChEBI IDCHEBI:173059
ChEBI Name(5E,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O2
Net Charge0
Average Mass344.539
Monoisotopic Mass344.27153
SMILES[H][C@@]12CC[C@]([H])([C@H](C)[C@@H](C)O)[C@@]1(C)CCC/C2=C\C=C1/C[C@@H](O)CCC1=C
InChIInChI=1S/C23H36O2/c1-15-7-10-20(25)14-19(15)9-8-18-6-5-13-23(4)21(11-12-22(18)23)16(2)17(3)24/h8-9,16-17,20-22,24-25H,1,5-7,10-14H2,2-4H3/b18-8+,19-9+/t16-,17-,20+,21-,22+,23-/m1/s1
InChIKeyHPIRTWXNAZXKAX-BOJQAXGBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
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)
(5E,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol (CHEBI:173059) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3R)-3-hydroxybutan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual XrefsDatabases
LMST03020017LIPID MAPS
7826217ChemSpider