CHEBI:156158 - 24-Nor-5-cholane-3,6,23-triol

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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 24-Nor-5-cholane-3,6,23-triol
ChEBI ID CHEBI:156158
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C23H40O3
Net Charge 0
Average Mass 364.570
Monoisotopic Mass 364.29775
InChI InChI=1S/C23H40O3/c1-14(8-11-24)17-4-5-18-16-13-21(26)20-12-15(25)6-9-23(20,3)19(16)7-10-22(17,18)2/h14-21,24-26H,4-13H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21+,22-,23-/m1/s1
InChIKey USQUBBGNLNAZCX-MAGGAUTPSA-N
SMILES O[C@@H]1[C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCO)C)[H])(CC3)C)[H])(C1)[H])[H])(CC[C@@H](O)C2)C)[H]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 24-Nor-5-cholane-3,6,23-triol (CHEBI:156158) is a bile acid (CHEBI:3098)
IUPAC Name
(3R,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Manual Xref Database
LMST04060007 LIPID MAPS
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