Ketcher 06301708462D 1 1.00000 0.00000 0 34 33 0 0 0 999 V2000 22.2977 -10.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5657 -7.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4317 -7.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2977 -7.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4317 -8.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2977 -9.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1638 -8.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0298 -9.1386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4317 -10.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5657 -10.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6997 -10.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8337 -10.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9677 -10.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1016 -10.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2357 -10.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3695 -10.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5035 -10.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6375 -10.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7715 -10.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9055 -10.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9055 -9.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7715 -8.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7715 -7.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6377 -7.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5036 -7.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3697 -7.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2357 -7.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1017 -7.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9677 -7.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8338 -7.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4317 -11.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8958 -8.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0298 -10.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8958 -9.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 9 31 2 0 0 0 1 9 1 0 0 0 8 32 1 0 0 0 8 33 1 0 0 0 8 34 1 0 0 0 M CHG 2 2 -1 8 1 M END > CHEBI:134423 > (4E,7E,10E,13E,16E)-docosapentaenoylcarnitine > An O-acylcarnitine in which the acyl group is specified as (4E,7E,10E,13E,16E)-docosapentaenoyl. > 3 > 3-{[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyl]oxy}-4-(trimethylazaniumyl)butanoate > C29H47NO4 > 473.689 > 473.35051 > 0 > O(C(CC([O-])=O)C[N+](C)(C)C)C(CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O > InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,15-16,18-19,21-22,27H,5-8,11,14,17,20,23-26H2,1-4H3/b10-9+,13-12+,16-15+,19-18+,22-21+ > KRXOUZZWQXTUIB-IDERWEGCSA-N $$$$