LMST05030011 LIPID_MAPS_STRUCTURE_DATABASE 43 46 0 0 0 999 V2000 6.7326 6.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9948 8.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9894 10.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1269 9.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1357 8.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8610 9.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8575 8.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5823 8.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5858 9.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7251 10.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9920 9.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8295 10.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7144 11.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5726 11.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7264 12.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4131 11.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2572 11.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0977 11.2935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8564 7.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 8.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 7.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1357 6.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9948 7.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 8.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 8.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 7.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 6.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 9.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5751 10.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9552 11.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1357 7.8453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 6.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2606 12.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9512 11.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8011 11.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6546 11.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7977 10.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8460 6.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9894 11.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2938 12.0063 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5983 12.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9894 12.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5983 11.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 6 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 7 8 1 0 0 0 0 2 11 1 1 0 0 0 6 12 1 1 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 7 19 1 6 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 2 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 21 1 0 0 0 0 20 28 1 1 0 0 0 10 29 1 6 0 0 0 13 30 1 6 0 0 0 5 31 1 6 0 0 0 21 32 1 1 0 0 0 26 1 1 6 0 0 0 17 33 2 0 0 0 0 18 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 23 38 1 6 0 0 0 3 39 1 6 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 40 43 2 0 0 0 0 M END > LMST05030011 > > N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfoxy)cholan-24-yl]-Glycine > C26H43NO9S > 545.27 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Glycine conjugates [ST0503] > - > > JZLKXIMBAHDSBJ-FRVQLJSFSA-N > InChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(26(17,18)3)36-37(33,34)35)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 > O[C@H]1C[C@@]2([H])C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@](C)([H])CCC(=O)NCC(=O)O)[C@@]4(C)[C@@H](OS(=O)(=O)O)C[C@]3([H])[C@@]2(C)CC1 > - > HMDB02644 > 186078 > - > - > - > 20849201 > - > Sterol Lipids [ST]; Sterol Lipids [ST] > Steroid conjugates [ST05]; Bile acids and derivatives [ST04] > Sulfates [ST0502]; C24 bile acids, alcohols, and derivatives [ST0401] > -; - > - > - $$$$