Ketcher 03121815572D 1 1.00000 0.00000 0 37 36 0 1 0 999 V2000 12.4401 -8.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5909 -7.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7081 -8.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8589 -7.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9924 -8.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3226 -8.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0052 -11.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2722 -11.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2722 -10.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1386 -9.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1303 -11.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1719 -8.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8539 -11.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7363 -11.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5849 -11.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7700 -10.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9966 -10.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0544 -8.0770 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7874 -7.0769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9210 -6.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9213 -5.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7879 -5.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0552 -5.0754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1884 -5.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3225 -5.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3232 -4.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4558 -5.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0544 -7.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9921 -9.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1252 -9.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1252 -10.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 -11.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2588 -11.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 -10.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7240 -11.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7240 -12.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5901 -12.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 3 0 0 3 4 1 0 0 0 4 5 2 0 0 0 1 6 2 3 0 0 11 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 7 11 1 0 0 0 10 12 1 0 0 0 12 6 1 0 0 0 7 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 10 17 1 6 0 0 12 18 1 6 0 0 20 19 1 1 0 0 20 21 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 20 28 1 0 0 0 28 18 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 31 33 1 6 0 0 32 34 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 29 5 1 0 0 0 M END > CHEBI:140269 > (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid > A docosanoid that is (7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid in which a cysteinylglycinyl group is attached at position 8S via a sulfide linkage. An intermediate of specialised proresolving mediators. > 3 > resolvin conjugate in tissue regeneration 2; RCTR2; 8-cysteinylglycinyl-7,17-dihydroxydocosahexaenoic acid > S-[(3Z,6R,7S,12Z,14E,16S,18Z)-1-carboxy-6,16-dihydroxyhenicosa-3,8,10,12,14,18-hexaen-7-yl]-L-cysteinylglycine > C27H40N2O7S > 536.683 > 536.25562 > 0 > C(C=C/C=C\C=C\[C@H](C/C=C\CC)O)=C[C@@H]([C@@H](C/C=C\CCC(O)=O)O)SC[C@H](N)C(=O)NCC(=O)O > InChI=1S/C27H40N2O7S/c1-2-3-9-14-21(30)15-10-6-4-5-7-12-17-24(23(31)16-11-8-13-18-25(32)33)37-20-22(28)27(36)29-19-26(34)35/h3-12,15,17,21-24,30-31H,2,13-14,16,18-20,28H2,1H3,(H,29,36)(H,32,33)(H,34,35)/b6-4-,7-5?,9-3-,11-8-,15-10+,17-12?/t21-,22-,23+,24-/m0/s1 > RJHKUGKYEOVVKD-HTWGBIMLSA-N $$$$