Marvin 05141315252D 34 33 0 0 0 0 999 V2000 20.5842 -10.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8754 -10.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8755 -11.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5842 -12.1510 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 19.1608 -10.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4461 -10.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4461 -11.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7315 -10.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5842 -9.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8755 -9.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2989 -9.2704 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.2989 -12.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0163 -10.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3016 -10.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5870 -10.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8723 -10.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1577 -10.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4430 -10.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4451 -9.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1587 -9.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1635 -8.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4521 -8.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7342 -8.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0228 -8.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0282 -7.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7450 -6.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7504 -5.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0394 -5.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3210 -5.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6251 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3438 -4.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5842 -12.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2987 -11.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 10 9 2 0 0 0 0 11 9 1 0 0 0 0 1 9 1 0 0 0 0 12 4 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 M CHG 2 4 1 11 -1 M END > CHEBI:73123 > O-[(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl]carnitine > An O-acylcarnitine having (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl as the acyl substituent. > 3 > all-cis-7,10,13,16,19-docosapentaenoylcarnitine; 3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-4-(trimethylammonio)butanoate; (7Z,10Z,13Z,16Z,19Z)-docosapentaenoylcarnitine > 3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-4-(trimethylazaniumyl)butanoate > C29H47NO4 > 473.68780 > 473.35051 > 0 > CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C > 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/h6-7,9-10,12-13,15-16,18-19,27H,5,8,11,14,17,20-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18- > MJPIXACTUMSGGI-WMPRHZDHSA-N > 23315938 $$$$