Ketcher 03031714092D 1 1.00000 0.00000 0 26 25 0 1 0 999 V2000 2.1690 -4.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -5.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 -6.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 -5.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 -4.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 -4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 -4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 -4.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 -4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4993 -4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3654 -4.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2316 -4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0975 -4.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 -4.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8297 -4.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9636 -3.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -6.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 -5.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4991 -6.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3651 -5.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2311 -6.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 -5.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -7.3447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 -2.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6331 -7.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 5 6 2 0 0 0 6 1 1 0 0 0 7 5 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 9 10 2 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 14 16 2 0 0 0 17 4 1 0 0 0 18 17 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 21 20 1 0 0 0 22 21 1 0 0 0 7 23 1 1 0 0 17 24 1 6 0 0 23 25 1 0 0 0 24 26 1 0 0 0 M CHG 1 15 -1 M END > CHEBI:133899 > 8(S),15(S)-DiHPETE(1-) > An icosanoid anion that is the conjugate base of 8(S),15(S)-DiHPETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. > 3 > (8S,15S)-dihydroperoxy-(5Z,9E,11Z,13E)-icosatetraenoate; (8S,15S)-dihydroperoxy-(5Z,9E,11Z,13E)-eicosatetraenoate; (8S,15S)-DiHPETE(1-); (5Z,8S,9E,11Z,13E,15S)-8,15-bis(hydroperoxy)icosatetraenoate; (5Z,8S,9E,11Z,13E,15S)-8,15-bis(hydroperoxy)eicosatetraenoate > (5Z,8S,9E,11Z,13E,15S)-8,15-bis(hydroperoxy)icosa-5,9,11,13-tetraenoate > C20H31O6 > 367.457 > 367.21261 > -1 > C(=C/C=C/[C@H](CCCCC)OO)/C=C/[C@H](C/C=C\CCCC([O-])=O)OO > InChI=1S/C20H32O6/c1-2-3-8-13-18(25-23)14-9-4-5-10-15-19(26-24)16-11-6-7-12-17-20(21)22/h4-6,9-11,14-15,18-19,23-24H,2-3,7-8,12-13,16-17H2,1H3,(H,21,22)/p-1/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1 > CXDIKCDVBUPCCG-HCCKYKKOSA-M $$$$