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CHEBI:173056 - (5Z,7E)-(3S)-23,24-dinor-9,10-seco-5,7,10(19)-cholatrien-3,22-diol

ChEBI IDCHEBI:173056
ChEBI Name(5Z,7E)-(3S)-23,24-dinor-9,10-seco-5,7,10(19)-cholatrien-3,22-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O2
Net Charge0
Average Mass330.512
Monoisotopic Mass330.25588
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CO)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)CCC1=C
InChIInChI=1S/C22H34O2/c1-15-6-9-19(24)13-18(15)8-7-17-5-4-12-22(3)20(16(2)14-23)10-11-21(17)22/h7-8,16,19-21,23-24H,1,4-6,9-14H2,2-3H3/b17-7+,18-8-/t16-,19+,20-,21+,22-/m1/s1
InChIKeyWQIMVXZKIZUURX-GOYQYJLRSA-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)
(5Z,7E)-(3S)-23,24-dinor-9,10-seco-5,7,10(19)-cholatrien-3,22-diol (CHEBI:173056) is a vitamin D (CHEBI:27300)
IUPAC Name 
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Manual XrefsDatabases
LMST03020010LIPID MAPS
7826210ChemSpider