Concept information
Preferred term
taurochenodeoxycholate 7 sulfate (2)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -2
formula
- C26H43NO9S2
has_functional_parent
inchi
- InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)36-38(33,34)35/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/p-2/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
inchikey
- WTKQKSAFONWCMW-BJLOMENOSA-L
mass
- 577.750
monoisotopicmass
- 577.23902
smiles
- C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])OS([O-])(=O)=O)[H])(CC[C@@]4([C@@H](CCC(NCCS(=O)(=O)[O-])=O)C)[H])[H])C)[H])C
subset
- 2_STAR
synonym RELATED
- taurochenodeoxycholate 7-sulfate
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:172396
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