Ketcher 03121816402D 1 1.00000 0.00000 0 33 32 0 1 0 999 V2000 12.4407 -8.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5915 -7.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7086 -8.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8594 -7.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9929 -8.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3233 -8.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0060 -11.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2729 -11.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2729 -10.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1393 -9.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1310 -11.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1726 -8.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8547 -11.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7371 -11.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5858 -11.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7708 -10.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9973 -10.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0552 -8.0774 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7882 -7.0773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9218 -6.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9221 -5.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7888 -5.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0560 -5.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0552 -7.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9926 -9.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1256 -9.9043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1256 -10.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 -11.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2591 -11.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8585 -10.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7246 -11.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7246 -12.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5907 -12.9058 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 20 24 1 0 0 0 24 18 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 27 29 1 6 0 0 28 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 25 5 1 0 0 0 M END > CHEBI:140270 > (8S)-cystein-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 cysteinyl group is attached at position 8S via a sulfide linkage. An intermediate of specialised proresolving mediators. > 3 > resolvin conjugate in tissue regeneration 3; RCTR3; 8-cysteinyl-7,17-dihydroxydocosahexaenoic acid > (4Z,7R,8S,13Z,15E,17S,19Z)-8-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-7,17-dihydroxydocosa-4,9,11,13,15,19-hexaenoic acid > C25H37NO6S > 479.631 > 479.23416 > 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)O > InChI=1S/C25H37NO6S/c1-2-3-9-14-20(27)15-10-6-4-5-7-12-17-23(33-19-21(26)25(31)32)22(28)16-11-8-13-18-24(29)30/h3-12,15,17,20-23,27-28H,2,13-14,16,18-19,26H2,1H3,(H,29,30)(H,31,32)/b6-4-,7-5?,9-3-,11-8-,15-10+,17-12?/t20-,21-,22+,23-/m0/s1 > XNFVDGDQGGSJGD-JBUAYWKOSA-N > 25713027 $$$$