Concept information
...
oxoanion
carboxylic acid anion
carbohydrate acid derivative anion
steroid glucosiduronic acid anion
...
oxoanion
carboxylic acid anion
carbohydrate acid derivative anion
steroid glucosiduronic acid anion
...
oxoanion
carboxylic acid anion
carbohydrate acid derivative anion
steroid glucosiduronic acid anion
...
oxoanion
carboxylic acid anion
carbohydrate acid derivative anion
steroid glucosiduronic acid anion
...
organic anion
carboxylic acid anion
carbohydrate acid derivative anion
steroid glucosiduronic acid anion
...
organic anion
carboxylic acid anion
carbohydrate acid derivative anion
steroid glucosiduronic acid anion
Preferred term
estrone 3-o-(3-sulfo-beta-d-glucuronide)(2-)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -2
formula
- C24H28O11S
inchi
- InChI=1S/C24H30O11S/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)33-23-19(27)20(35-36(30,31)32)18(26)21(34-23)22(28)29/h3,5,10,14-16,18-21,23,26-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/p-2/t14-,15-,16+,18+,19-,20+,21+,23-,24+/m1/s1
inchikey
- OHNDSIZOMMVECR-NFMHSUPCSA-L
mass
- 524.540
monoisotopicmass
- 524.13633
smiles
- C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)OS([O-])(=O)=O)O)C=C4)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]
subset
- 2_STAR
synonym RELATED
- estrone 3-O-(3-sulfo-beta-D-glucuronate)
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:178101
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