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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholanoid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > taurochenodeoxycholate-7-sulfate

Preferred term

taurochenodeoxycholate-7-sulfate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C26H43NO9S2.Na.Na

inchi

  • InChI=1S/C26H45NO9S2.2Na/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);;/q;2*+1/p-2/t16-,17+,18-,19-,20?,21?,22-,24?,25+,26-;;/m1../s1

inchikey

  • DFQIEFSTRRYQEB-ZRVCAELKSA-L

mass

  • 623.730

monoisotopicmass

  • 623.21746

smiles

  • S(O[C@H]1C2C3[C@@]([C@](CC3)([C@@H](CCC(=O)NCCS([O-])(=O)=O)C)[H])(CCC2[C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)C)([O-])(=O)=O.[Na+].[Na+]

subset

  • 2_STAR

synonym EXACT

  • disodium.2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-7-sulonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulonate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197207

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