-OEChem-02171214082D 43 44 0 1 0 0 0 0 0999 V2000 7.2625 2.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6459 1.4167 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.1209 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 -0.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -4.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8959 1.5459 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8417 2.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -3.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7750 -2.6958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2250 -2.7166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2250 -1.8833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0917 -3.1083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0917 -3.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4750 -3.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5000 -1.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7959 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.6416 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9667 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2084 -0.9166 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3333 -3.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3333 -3.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0209 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -2.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -3.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -3.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -1.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -1.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 37 1 0 0 0 0 18 3 1 6 0 0 0 19 4 1 6 0 0 0 30 5 1 6 0 0 0 6 35 2 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 38 1 1 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 13 39 1 6 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 40 1 6 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 15 27 1 1 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 1 0 0 0 17 23 1 0 0 0 0 17 26 1 0 0 0 0 17 41 1 1 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 21 25 1 1 0 0 0 21 29 1 0 0 0 0 22 25 1 0 0 0 0 24 31 1 0 0 0 0 26 30 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 6 0 0 0 30 31 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 2 2 1 7 -1 M END > 0 > 0 > 24900186 > 3 > Sigma-Aldrich > T4009_SIGMA > 2-[(3alpha,7alpha,12alpha-Trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid N-(2-sulfoethyl)amide Sodium taurocholate hydrate T4009_SIGMA Taurocholic acid sodium salt hydrate > T4009_SIGMA > http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link > http://www.sigmaaldrich.com/catalog/search/ProductDetail/SIGMA/T4009?cm_mmc=affiliate-_-PubChem-_-product-_-link > 23687511 1 962 2 6675 2 5360545 2 > 1 3 > 12 38 5 13 39 6 14 40 6 15 27 5 16 28 5 17 41 5 21 25 5 29 33 6 18 3 6 19 4 6 30 5 6 $$$$