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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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > bile acids > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy-5beta-cholanic acid > bile acid > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen 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 > (6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate

Preferred term

(6r)-2-(hydroxymethyl)-6-((3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptyl hydrogen sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C27H48O8S

inchi

  • InChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16?,17?,18?,19-,20-,21+,22+,23-,24+,25+,26?,27?/m1/s1

inchikey

  • KAOLEMQCYWHOJQ-UOYWKCHUSA-N

mass

  • 532.730

monoisotopicmass

  • 532.30699

smiles

  • S(OCC(CCCC([C@@H]1C2([C@]([C@]3([C@@](C4(C(C[C@H]3O)C[C@H](O)CC4)C)(C[C@@H]2O)[H])[H])(CC1)[H])C)C)CO)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [2-(hydroxymethyl)-6-[(3R,7R,8R,9S,12S,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182861

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