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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (20S,24S)-24-ethylthornasterol
ChEBI ID CHEBI:187994
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H48O4
Net Charge 0
Average Mass 460.699
Monoisotopic Mass 460.35526
InChI InChI=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
InChIKey XNQNXOGLSLUYAX-BGHDTONKSA-N
SMILES O[C@@H]1[C@@]2([C@@](C=3[C@]([C@]4([C@@]([C@](CC4)([C@@](O)(CC(=O)[C@H](C(C)C)CC)C)[H])(CC3)C)[H])(C1)[H])(CC[C@H](O)C2)C)[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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
Manual Xrefs Databases
113385254 ChemSpider
LMST01040175 LIPID MAPS
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