Marvin 05141311362D 31 30 0 0 0 0 999 V2000 16.9518 -8.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2373 -8.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2373 -9.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9519 -10.1595 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.5229 -8.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8085 -8.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8085 -9.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0941 -8.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9518 -7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6662 -7.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2375 -7.2720 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.6662 -10.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3796 -8.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6651 -8.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9506 -8.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2363 -8.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5218 -8.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8074 -8.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0929 -8.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3785 -8.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3785 -7.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6641 -7.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6642 -6.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3786 -6.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 -5.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0931 -4.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0931 -3.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8076 -3.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3796 -9.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9519 -10.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6663 -9.7470 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 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 13 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 M CHG 2 4 1 11 -1 M END > CHEBI:73075 > 3-hydroxylinoleoylcarnitine > An O-acylcarnitine having 3-hydroxylinoleoyl as the acyl substituent. > 3 > 3-hydroxylinoleylcarnitine; 3-hydroxy-9cis,12cis-octadecadienoylcarnitine; (9Z,12Z)-3-hydroxyoctadeca-9,12-dienoylcarnitine > 3-{[(9Z,12Z)-3-hydroxyoctadeca-9,12-dienoyl]oxy}-4-(trimethylammonio)butanoate > C25H45NO5 > 439.62850 > 439.32977 > 0 > CCCCC\C=C/C\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C > InChI=1S/C25H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h9-10,12-13,22-23,27H,5-8,11,14-21H2,1-4H3/b10-9-,13-12- > WQYXCASYXUFNSI-UTJQPWESSA-N > 23315938 $$$$