Concept information
Preferred term
etiocholan-3alpha-ol-17-one 3-o- (3-sulfo-beta-d-glucuronide) (2-)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -2
formula
- C25H36O11S
inchi
- InChI=1S/C25H38O11S/c1-24-9-7-13(34-23-19(28)20(36-37(31,32)33)18(27)21(35-23)22(29)30)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-28H,3-11H2,1-2H3,(H,29,30)(H,31,32,33)/p-2/t12-,13-,14+,15+,16+,18+,19-,20+,21+,23-,24+,25+/m1/s1
inchikey
- DQNZSFSAXYWEPI-OCDJPEPRSA-L
mass
- 544.610
monoisotopicmass
- 544.19893
smiles
- C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[H])[H])(CCC4=O)[H])C)[H])C
subset
- 2_STAR
synonym RELATED
- 3alpha-hydroxyetiocholan-17-one 3-O-(3-sulfo-beta-D-glucuronate)
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:178198
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