Marvin 05141314172D 31 30 0 0 0 0 999 V2000 16.2400 -7.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5256 -8.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5255 -9.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2400 -9.6471 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.8111 -7.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0967 -8.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0967 -9.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3822 -7.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2401 -7.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9545 -6.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5257 -6.7596 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.9544 -10.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6677 -8.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9533 -7.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2388 -8.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 -7.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8099 -8.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0955 -7.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 -8.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6665 -7.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6666 -7.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9523 -6.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9524 -5.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 -5.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 -4.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3813 -4.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6678 -9.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0957 -4.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8102 -4.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2400 -10.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9545 -9.2346 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 2 0 0 0 0 13 27 1 0 0 0 0 26 28 1 0 0 0 0 28 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:73116 > (9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine > An O-acylcarnitine having (9Z,12Z,15Z)-3-hydroxyoctadecatrienoyl as the acyl substituent. > 3 > 9--cis,12-cis,15-cis-3-hydroxyoctadecatrienoylcarnitine; 3-{[(9Z,12Z,15Z)-3-hydroxyoctadeca-9,12,15-trienoyl]oxy}-4-(trimethylammonio)butanoate > 3-{[(9Z,12Z,15Z)-3-hydroxyoctadeca-9,12,15-trienoyl]oxy}-4-(trimethylazaniumyl)butanoate > C25H43NO5 > 437.61260 > 437.31412 > 0 > CC\C=C/C\C=C/C\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C > InChI=1S/C25H43NO5/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/h6-7,9-10,12-13,22-23,27H,5,8,11,14-21H2,1-4H3/b7-6-,10-9-,13-12- > ZJZLUQLCVQGASB-QNEBEIHSSA-N > 23315938 $$$$