Ketcher 01221611032D 1 1.00000 0.00000 0 38 40 0 1 0 999 V2000 13.4441 -5.9504 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 -6.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 -8.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -8.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -5.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 -6.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3739 -5.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -5.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -6.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -7.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -5.8141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8309 -6.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8309 -5.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8309 -4.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8309 -7.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6915 -4.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -7.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -8.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -7.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -7.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -8.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 -5.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -4.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 -3.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5236 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6553 -3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3920 -3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3920 -2.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9185 -3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2603 -4.0060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1286 -3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9969 -4.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9969 -5.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8653 -3.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 16 25 1 0 0 0 16 26 1 0 0 0 13 15 1 0 0 0 15 8 1 0 0 0 11 7 1 0 0 0 6 11 1 0 0 0 11 13 1 0 0 0 13 22 1 0 0 0 23 6 1 0 0 0 6 10 1 1 0 0 6 2 1 0 0 0 25 9 1 0 0 0 7 26 1 0 0 0 9 8 1 0 0 0 5 22 1 0 0 0 23 4 1 0 0 0 23 5 1 0 0 0 3 2 1 0 0 0 20 4 1 0 0 0 20 3 1 0 0 0 11 12 1 6 0 0 13 14 1 1 0 0 15 18 1 6 0 0 16 17 1 1 0 0 25 19 1 6 0 0 20 21 1 6 0 0 23 24 1 1 0 0 26 27 1 6 0 0 25 28 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 28 30 1 0 0 0 31 34 1 0 0 0 31 32 2 0 0 0 28 33 1 6 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 38 1 0 0 0 36 37 2 0 0 0 M CHG 2 1 1 38 -1 M END > CHEBI:87819 > sodium glycodeoxycholate > A bile acid salt that is the sodium salt of glycodeoxycholic acid. > 3 > glycodeoxycholic acid sodium salt > sodium N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycinate; sodium [(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate > C26H42NNaO5 > 471.606 > 471.29607 > 0 > [Na+].C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@]4([H])[C@@H](CCC(NCC([O-])=O)=O)C)[H])C)O)[H])C > InChI=1S/C26H43NO5.Na/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3;/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-;/m1./s1 > VMSNAUAEKXEYGP-YEUHZSMFSA-M > 3847291 > Glycodeoxycholic_acid $$$$