HMDB0241441 RDKit 3D (5Z)-Pentadec-5-enoylcarnitine 68 67 0 0 0 0 0 0 0 0999 V2000 8.8421 2.9218 0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0555 2.1499 -0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 0.7015 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3114 -0.1921 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8701 0.2920 -0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 -0.5999 -1.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6774 -0.1518 -2.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 -0.1061 -0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 -1.4415 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 -2.4267 -0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0516 -3.0603 -0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -2.8528 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1343 -2.3951 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9445 -2.1288 1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2963 -1.7232 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -2.4284 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9955 -0.6648 1.4026 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3236 -0.3604 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2136 -0.5277 2.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 0.3453 3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 1.2112 3.2614 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6521 0.2210 4.4213 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3350 0.9842 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5729 1.4436 -0.2370 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.4753 0.4540 -0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2874 2.3006 0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2283 2.3333 -1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4006 2.7053 1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 4.0001 0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8671 2.4976 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0349 2.5851 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4884 2.3194 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5409 0.6676 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1079 0.3704 0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3313 -1.2328 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8092 -0.1224 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 1.3190 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4624 0.2593 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1403 -1.6586 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5561 -0.5131 -2.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2129 -0.8073 -2.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 0.8750 -2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3551 0.5952 -0.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 0.2849 -1.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 -1.2803 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8351 -1.7239 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -2.6741 -1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 -3.7982 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 -3.8320 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6291 -2.1650 1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -3.1183 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0248 -1.4039 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4147 -1.3542 1.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0444 -3.0409 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -1.1780 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0402 -1.5983 2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2931 -0.4544 1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9854 1.7443 1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5471 0.9672 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9693 0.8727 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3444 0.2397 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9684 -0.4649 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8570 3.0691 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4937 2.7808 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0283 1.7284 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0998 2.9145 -1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8265 1.7507 -2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4170 3.0426 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 18 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 23 58 1 0 23 59 1 0 25 60 1 0 25 61 1 0 25 62 1 0 26 63 1 0 26 64 1 0 26 65 1 0 27 66 1 0 27 67 1 0 27 68 1 0 M CHG 2 22 -1 24 1 M END