Ketcher 10091515132D 1 1.00000 0.00000 0 58 57 0 1 0 999 V2000 7.0832 -10.7052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 -10.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3521 -10.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1176 -8.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 -9.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1176 -7.7067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3866 -7.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2519 -7.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 -6.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6178 -4.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1176 -5.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6174 -4.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2519 -6.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 -5.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8487 -5.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8476 -5.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8481 -4.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8481 -6.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8481 -5.7076 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.7133 -5.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5787 -5.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4444 -5.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3099 -5.7076 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 12.5787 -6.7072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4444 -4.2085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7133 -7.2069 0.0000 * 0 0 0 0 0 0 0 0 0 0 0 0 7.0831 -11.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9487 -12.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9487 -13.2039 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8142 -13.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6797 -13.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8142 -14.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5454 -13.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4110 -13.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2765 -13.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1423 -13.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0078 -13.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8734 -13.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7391 -13.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6044 -12.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4701 -11.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3355 -12.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2011 -11.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2010 -10.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3353 -10.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4697 -10.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6043 -10.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7388 -10.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8733 -10.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9321 -10.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9321 -11.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0665 -10.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0665 -12.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6044 -13.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0075 -10.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1420 -10.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2764 -10.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4107 -10.2056 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 40 41 1 0 0 0 41 42 1 0 0 0 42 43 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 52 50 1 0 0 0 53 51 1 0 0 0 44 52 1 0 0 0 43 53 1 0 0 0 39 54 2 0 0 0 54 40 1 0 0 0 51 50 1 0 0 0 49 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 M CHG 1 18 -1 M END > CHEBI:87863 > O-[S-(2E,9Z-octacosadienoylpantetheine)-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)-octacosadienoyl. > 3 > O-[S-(2E,9Z-octacosadienoylpantetheine)-4'-phosphoryl]-L-serine residue; (2E,9Z-C28 :2-phosphopantetheine)-L-serine(1-) residue > C42H75N3O9PS > 829.101 > 828.49616 > -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\CCCCCCCCCCCCCCCCCC)=O $$$$