-OEChem-02171214082D 40 43 0 1 0 0 0 0 0999 V2000 7.7542 0.5333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -3.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2292 -3.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 0.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 -2.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0499 -1.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6310 -1.9323 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0609 -1.1278 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0885 -2.3458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7738 -0.7216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3501 -0.7082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0920 -3.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3336 -3.1769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6413 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4694 -1.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -3.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0542 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -3.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5125 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -1.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -2.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -2.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -0.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -3.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 35 1 0 0 0 0 16 2 1 6 0 0 0 18 3 1 6 0 0 0 28 4 1 6 0 0 0 5 33 2 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 36 1 1 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 37 1 6 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 38 1 6 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 1 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 14 27 1 1 0 0 0 15 22 1 0 0 0 0 15 24 1 0 0 0 0 15 39 1 6 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 17 40 1 1 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 6 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 M END > 0 > 0 > 841389 > 1 > BIND > 582 > 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid 2-((3-alpha,7-alpha,12-alpha-Trihydroxy-24-oxo-5-be ta-cholan-24-yl)amino)ethanesulfonic acid 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine 81-24-3 Acidum cholatauricum Cholaic acid Cholic acid taurine conjugate Cholyltaurine Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)- Taurine, N-choloyl- Taurocholate ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]- > 81-24-3 > 582 > 13298695 14747894 > http://bind.ca > http://www.bind.ca/Action?pg=3001&butval=search&identifier=smallmoleculeid&searchterm=582 > 6675 1 > 1 3 > 10 36 5 11 37 6 12 38 6 13 25 5 14 27 5 15 39 6 17 40 5 16 2 6 24 31 6 18 3 6 28 4 6 $$$$