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CHEBI:187570 - 7alpha,25,27-trihydroxycholesterol

ChEBI IDCHEBI:187570
ChEBI Name7alpha,25,27-trihydroxycholesterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)(O)CO)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C27H46O4/c1-17(6-5-11-25(2,31)16-28)20-7-8-21-24-22(10-13-27(20,21)4)26(3)12-9-19(29)14-18(26)15-23(24)30/h15,17,19-24,28-31H,5-14,16H2,1-4H3/t17-,19+,20-,21+,22+,23-,24+,25?,26+,27-/m1/s1
InChIKeyJGEBMCVWDISKRI-NIYNOAIZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7alpha,25,27-trihydroxycholesterol (CHEBI:187570) is a bile acid (CHEBI:3098)
IUPAC Name 
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Manual XrefsDatabases
4447336ChemSpider
LMST04030083LIPID MAPS