Ketcher 10151514372D 1 1.00000 0.00000 0 70 69 0 1 0 999 V2000 6.0165 -7.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -6.8128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2854 -7.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 -5.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -5.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 -4.3138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3199 -4.3138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1851 -3.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9166 -2.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5511 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5506 -1.4489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1851 -2.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 -2.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7822 -2.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7813 -2.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7816 -1.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7816 -3.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7816 -2.3146 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6469 -1.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5126 -2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3783 -1.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2439 -2.3146 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 11.5126 -3.3142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3783 -0.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6469 -3.8141 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 6.0164 -8.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8821 -8.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8821 -9.8115 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7477 -10.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6132 -9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7477 -11.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4789 -10.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3446 -9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2102 -10.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0758 -9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9415 -10.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8071 -9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6728 -10.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5384 -9.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5386 -8.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4043 -8.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2699 -8.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1357 -8.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0012 -8.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8669 -8.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7323 -8.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5983 -8.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4637 -8.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3296 -8.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1951 -8.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0606 -7.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0606 -8.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1948 -6.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3292 -7.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4635 -6.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5978 -7.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7321 -6.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8664 -7.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0008 -6.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1352 -7.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2695 -6.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4037 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5381 -6.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6725 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8068 -6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9410 -7.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0755 -6.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2098 -7.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3442 -6.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 2 1 0 0 0 2 1 1 0 0 0 2 3 2 0 0 0 4 6 1 0 0 0 8 6 1 0 0 0 5 4 1 0 0 0 8 7 2 0 0 0 8 13 1 0 0 0 13 11 1 0 0 0 11 9 1 0 0 0 9 15 1 0 0 0 11 10 1 0 0 0 11 12 1 0 0 0 13 14 1 6 0 0 15 19 1 0 0 0 19 16 1 0 0 0 19 17 2 0 0 0 19 18 1 0 0 0 16 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 21 24 1 1 0 0 22 25 2 0 0 0 24 26 1 0 0 0 1 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 30 31 1 0 0 0 29 30 1 0 0 0 30 32 2 0 0 0 31 33 2 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 2 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 53 2 0 0 0 53 52 1 0 0 0 52 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 M CHG 1 18 -1 M END > CHEBI:87888 > O-[S-(2E,9Z,21Z-tetracontatrienoylpantetheine)-4'-phosphoryl]-L-serine(1-) residue > An O-[S-(2E)-2-enoylpantetheine-4ʼ-phosphoryl]-L-serine(1−) residue in which the S-acyl group is specified as (2E,9Z,21Z)-tetracontatrienoyl. > 3 > O-[S-(2E,9Z,21Z-tetracontatrienoylpantetheine)-4'-phosphoryl]-L-serine residue; (2E,9Z,21Z-C40:3-phosphopantetheine)-L-serine(1-) residue > C54H97N3O9PS > 995.405 > 994.66831 > -1 > N(C(CCNC(=O)[C@@H](C(COP(OC[C@@H](C(*)=O)N*)(=O)[O-])(C)C)O)=O)CCSC(/C=C/CCCCC/C=C\CCCCCCCCCC/C=C\CCCCCCCCCCCCCCCCCC)=O $$$$