Concept information
Preferred term
Dehydroepiandone 3-OO (3-SULFO-BETA-D-GLUCURONIDE) (2-)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -2
formula
- C25H34O11S
inchi
- InChI=1S/C25H36O11S/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/h3,13-16,18-21,23,27-28H,4-11H2,1-2H3,(H,29,30)(H,31,32,33)/p-2/t13-,14-,15-,16-,18-,19+,20-,21-,23+,24-,25-/m0/s1
inchikey
- TWXJVJRXDDFULE-FLCQFZNTSA-L
mass
- 542.600
monoisotopicmass
- 542.18328
smiles
- O=C1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](OS([O-])(=O)=O)[C@H]5O)C(=O)[O-])CC4)C)(CC2)[H])[H])(CC1)[H])C
subset
- 2_STAR
synonym RELATED
- 3beta-androst-5-en-17-one 3-O-(3-sulfo-beta-D-glucuronate)
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:178106
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