Ketcher 08261609562D 1 1.00000 0.00000 0 38 41 0 1 0 999 V2000 19.3029 -2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4369 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1689 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1689 -0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5708 -2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0348 -2.2978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9009 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7668 -2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7668 -3.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6329 -1.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7047 -1.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5708 -3.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1556 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2897 -5.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1556 -6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8877 -6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0217 -5.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8877 -3.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5708 -4.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1587 -4.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0217 -4.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8877 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8877 -5.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7537 -5.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7537 -4.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6198 -4.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6198 -3.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6198 -2.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6198 -5.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4368 -2.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2897 -6.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4236 -6.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7537 -6.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6198 -6.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0217 -6.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0217 -7.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7537 -3.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8877 -7.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 5 2 1 0 0 0 3 6 1 0 0 0 3 4 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 10 1 0 0 0 8 9 2 0 0 0 5 11 1 6 0 0 5 12 1 0 0 0 26 27 1 0 0 0 27 12 1 0 0 0 27 37 1 0 0 0 24 26 1 0 0 0 26 19 1 0 0 0 22 18 1 0 0 0 17 22 1 0 0 0 22 24 1 0 0 0 24 33 1 0 0 0 35 17 1 0 0 0 17 21 1 1 0 0 17 13 1 0 0 0 12 20 1 0 0 0 18 37 1 0 0 0 20 19 1 0 0 0 16 33 1 0 0 0 35 15 1 0 0 0 35 16 1 0 0 0 14 13 1 0 0 0 31 15 1 0 0 0 31 14 1 0 0 0 22 23 1 6 0 0 24 25 1 1 0 0 26 29 1 6 0 0 27 28 1 1 0 0 12 30 1 6 0 0 31 32 1 6 0 0 33 34 1 6 0 0 35 36 1 1 0 0 16 38 1 6 0 0 M END > CHEBI:133176 > glycohyocholic acid > A bile acid glycine conjugate having hyocholic acid as the bile acid component. > 3 > N-hyocholoylglycine; N-[(3alpha,5beta,6alpha,7alpha)-3,6,7-trihydroxy-24-oxocholan-24-yl]glycine; hyocholic acid-glycine conjugate > N-(3alpha,6alpha,7alpha-trihydroxy-5beta-cholan-24-oyl)glycine > C26H43NO6 > 465.624 > 465.30904 > 0 > C(C[C@@H](C)[C@@]1([C@@]2([C@]([C@]3([C@](CC2)([C@@]4([C@@](C[C@@H](CC4)O)([C@H]([C@H]3O)O)[H])C)[H])[H])(CC1)[H])C)[H])C(NCC(O)=O)=O > InChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)/t14-,15-,16-,17+,18+,19+,22+,23-,24+,25-,26-/m1/s1 > ZQYUKJFJPJDMMR-ZDWCHQGWSA-N > 23008527; 27458508 $$$$