CHEBI:156154 - 26,27-dinor-3,6,12-trihydroxy-5-cholestan-24-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 26,27-dinor-3,6,12-trihydroxy-5-cholestan-24-one
ChEBI ID CHEBI:156154
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C25H42O4
Net Charge 0
Average Mass 406.607
Monoisotopic Mass 406.30831
InChI InChI=1S/C25H42O4/c1-14(5-6-15(2)26)18-7-8-19-23-20(13-22(29)25(18,19)4)24(3)10-9-17(27)11-16(24)12-21(23)28/h14,16-23,27-29H,5-13H2,1-4H3/t14-,16+,17-,18-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey XZKHOQXQDMYABL-BCWNTCASSA-N
SMILES O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)C)C)[H])[H])C
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 26,27-dinor-3,6,12-trihydroxy-5-cholestan-24-one (CHEBI:156154) is a bile acid (CHEBI:3098)
IUPAC Name
(5R)-5-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexan-2-one
Manual Xref Database
LMST04070027 LIPID MAPS
View more database links