Ketcher 10201716372D 1 1.00000 0.00000 0 37 38 0 1 0 999 V2000 13.7922 -1.6163 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.3838 -2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2477 -1.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5199 -1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9285 -2.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1116 -2.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6562 -2.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7920 -0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7922 -2.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9366 -1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0372 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1733 -1.7181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3838 -3.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1447 -3.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8572 -3.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7157 -3.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0429 -3.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1682 -3.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 -3.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 -4.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 -4.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1682 -5.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0429 -4.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 -5.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7922 -4.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6386 -5.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5134 -4.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3597 -5.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2343 -4.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5848 -3.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4434 -3.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4413 -4.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8788 -6.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -3.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 -3.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -5.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 -4.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 1 2 0 0 0 1 9 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 5 1 1 0 0 0 6 3 1 0 0 0 7 4 1 0 0 0 1 7 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 5 10 1 0 0 0 2 13 1 1 0 0 19 34 1 0 0 0 19 18 1 6 0 0 21 19 1 0 0 0 21 36 1 0 0 0 21 22 1 1 0 0 34 20 1 0 0 0 36 20 1 0 0 0 23 22 2 0 0 0 17 18 1 0 0 0 24 23 1 0 0 0 27 28 1 0 0 0 29 28 1 0 0 0 26 27 1 0 0 0 25 24 1 0 0 0 26 25 1 0 0 0 14 17 2 0 0 0 15 14 1 0 0 0 16 15 1 0 0 0 30 16 1 0 0 0 31 30 1 0 0 0 32 31 2 0 0 0 24 33 1 6 0 0 34 35 1 6 0 0 36 37 1 6 0 0 35 37 1 0 0 0 13 31 1 0 0 0 M END > CHEBI:138745 > 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine > A 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as (9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl. > 3 > 2-(prostaglandin H2)-sn-glycero-3-phosphoethanolamine; 2-(prostaglandin H2)-LPE > (2R)-1-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxypropan-2-yl (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoate > C25H44NO10P > 549.592 > 549.27028 > 0 > P(=O)(O)(OCCN)OC[C@@H](CO)OC(CCC/C=C\C[C@H]1[C@@H]2C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)OO2)=O > InChI=1S/C25H44NO10P/c1-2-3-6-9-19(28)12-13-22-21(23-16-24(22)36-35-23)10-7-4-5-8-11-25(29)34-20(17-27)18-33-37(30,31)32-15-14-26/h4,7,12-13,19-24,27-28H,2-3,5-6,8-11,14-18,26H2,1H3,(H,30,31)/b7-4-,13-12+/t19-,20+,21+,22+,23-,24+/m0/s1 > JORBVYOHRWCTFB-GONZANLZSA-N > 27642067 $$$$