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CHEBI:172964 - (3S,6R)-9,10-seco-5(10),6,7-cholestatrien-3-ol

ChEBI IDCHEBI:172964
ChEBI Name(3S,6R)-9,10-seco-5(10),6,7-cholestatrien-3-ol
Stars
Submittermwilliams
DownloadsMolfile
FormulaC27H44O
Net Charge0
Average Mass384.648
Monoisotopic Mass384.33922
SMILES[H]C(=C=C1CCC[C@]2(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]12[H])C1=C(C)CC[C@H](O)C1
InChIInChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h13,19,21,24-26,28H,6-11,14-18H2,1-5H3/t12-,21+,24-,25+,26-,27+/m0/s1
InChIKeyYZGASHZUSKGPDO-MNHCFFFESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J
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)
(3S,6R)-9,10-seco-5(10),6,7-cholestatrien-3-ol (CHEBI:172964) is a vitamin D (CHEBI:27300)
Manual XrefsDatabases
LMST03020229LIPID MAPS