Mrv0541 02271511512D 34 37 0 0 0 0 999 V2000 -0.1377 -0.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 -1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 -2.0276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1377 -2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2769 -2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -1.1886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2769 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 0.0162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7073 -0.7919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4920 -1.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 0.2726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7073 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7073 -1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2151 0.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5934 -2.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2769 -0.7919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2769 -1.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7776 1.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -1.1886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0076 -0.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6353 1.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0643 1.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0643 2.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2065 1.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 1.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7788 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 11 1 0 0 0 0 15 11 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 1 0 0 0 24 12 1 0 0 0 0 13 12 1 0 0 0 0 12 18 1 6 0 0 0 9 21 1 0 0 0 0 8 21 1 0 0 0 0 24 21 1 0 0 0 0 7 24 1 0 0 0 0 5 8 1 0 0 0 0 8 17 1 1 0 0 0 1 8 1 0 0 0 0 14 15 1 0 0 0 0 33 15 1 0 0 0 0 15 19 1 6 0 0 0 9 10 1 0 0 0 0 14 13 1 0 0 0 0 6 7 1 0 0 0 0 4 5 1 0 0 0 0 6 5 2 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 3 20 1 1 0 0 0 21 22 1 6 0 0 0 33 23 1 6 0 0 0 24 25 1 1 0 0 0 26 31 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 27 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 29 34 1 0 0 0 0 M END > CHEBI:81014 > 3beta-hydroxycholest-5-en-26-oic acid > A steroid acid resulting from the oxidation of one of the terminal methyl groups of cholesterol to the corresponding aldehyde. > 3 > 3beta-Hydroxy-5-cholestenoic acid; 3-Hydroxy-5-cholestenoic acid; 3-Hydroxy-5-cholesten-26-oic acid; 3-HCOA > (3beta)-hydroxycholest-5-en-26-oic acid > C27H44O3 > 416.63650 > 416.32905 > 0 > C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C > InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/t17-,18?,20+,21+,22-,23+,24+,26+,27-/m1/s1 > WVXOMPRLWLXFAP-AMQKJUDNSA-N > 6561-58-6 > 3170242 > 6561-58-6 > C17333 > 20843794 $$$$