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CHEBI:187994 - (20S,24S)-24-ethylthornasterol

ChEBI IDCHEBI:187994
ChEBI Name(20S,24S)-24-ethylthornasterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O4
Net Charge0
Average Mass460.699
Monoisotopic Mass460.35526
SMILES[H][C@]1([C@@](C)(O)CC(=O)[C@@H](CC)C(C)C)CC[C@]2([H])[C@]1(C)CC=C1[C@@]2([H])C[C@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C
InChIInChI=1S/C29H48O4/c1-7-19(17(2)3)25(32)16-29(6,33)26-9-8-21-20-15-24(31)23-14-18(30)10-12-27(23,4)22(20)11-13-28(21,26)5/h11,17-21,23-24,26,30-31,33H,7-10,12-16H2,1-6H3/t18-,19-,20-,21-,23+,24-,26-,27+,28-,29-/m0/s1
InChIKeyXNQNXOGLSLUYAX-BGHDTONKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(20S,24S)-24-ethylthornasterol (CHEBI:187994) is a bile acid (CHEBI:3098)
IUPAC Name 
(2S,5S)-2-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-ethyl-2-hydroxy-6-methylheptan-4-one
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