Ketcher 01241811012D 1 1.00000 0.00000 0 112119 0 1 0 999 V2000 15.5881 -8.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7898 -9.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3864 -9.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3250 -9.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0815 -10.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6615 -11.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0947 -10.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5147 -11.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8511 -9.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1177 -9.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4403 -8.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6418 -9.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2385 -9.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9337 -10.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5136 -11.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9467 -10.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 -11.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7033 -9.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4982 -8.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7613 -8.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9629 -7.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5596 -7.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2548 -7.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8348 -5.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -7.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6878 -6.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0243 -8.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2909 -7.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -5.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5676 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 -3.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4394 -3.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8726 -3.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 -3.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 -5.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8956 -4.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6296 -11.0224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8313 -11.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4281 -11.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1232 -12.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7864 -13.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 -12.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5562 -13.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 -11.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1594 -11.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2849 -14.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4866 -14.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0832 -14.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 -15.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 -16.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7915 -15.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2114 -16.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5479 -14.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 -15.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2986 -9.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8052 -10.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8183 -10.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5097 -8.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2190 -7.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2190 -8.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3643 -9.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0736 -9.2323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7829 -9.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6375 -8.7390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9283 -8.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9283 -7.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7828 -10.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4921 -10.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3468 -8.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4921 -9.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2015 -9.2324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.3468 -7.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3468 -10.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3468 -11.6995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2015 -10.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9107 -9.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0561 -8.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7654 -8.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0561 -7.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9108 -10.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9108 -7.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4746 -8.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6200 -9.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3293 -9.2323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6200 -10.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4746 -7.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4746 -10.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0386 -9.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1839 -8.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8932 -8.7390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.1839 -7.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0385 -10.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0385 -7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0386 -6.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8932 -7.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8933 -5.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7478 -7.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7478 -6.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6024 -8.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4571 -9.2323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.7478 -9.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7478 -10.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6024 -7.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7007 -7.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0404 -7.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.3957 -8.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4571 -10.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3956 -10.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9757 -9.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6660 -7.7838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3643 -10.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 7 1 0 0 0 2 9 1 1 0 0 5 3 1 0 0 0 3 4 1 6 0 0 7 5 1 0 0 0 5 6 1 1 0 0 7 8 1 6 0 0 9 10 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 12 16 1 0 0 0 14 13 1 0 0 0 13 10 1 6 0 0 16 14 1 0 0 0 14 15 1 1 0 0 16 17 1 6 0 0 12 18 1 1 0 0 18 19 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 21 25 1 0 0 0 21 27 1 6 0 0 23 22 1 0 0 0 25 23 1 0 0 0 23 24 1 6 0 0 25 26 1 1 0 0 27 28 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 30 34 1 0 0 0 30 36 1 6 0 0 32 31 1 0 0 0 31 24 1 6 0 0 34 32 1 0 0 0 32 33 1 6 0 0 34 35 1 1 0 0 36 37 1 0 0 0 22 19 1 1 0 0 38 39 1 0 0 0 38 40 1 0 0 0 39 43 1 0 0 0 39 45 1 1 0 0 41 40 1 0 0 0 40 17 1 6 0 0 43 41 1 0 0 0 41 42 1 1 0 0 43 44 1 6 0 0 45 46 1 0 0 0 47 48 1 0 0 0 47 49 1 0 0 0 48 52 1 0 0 0 48 54 1 1 0 0 50 49 1 0 0 0 49 42 1 1 0 0 52 50 1 0 0 0 50 51 1 1 0 0 52 53 1 6 0 0 54 55 1 0 0 0 57 56 1 0 0 0 58 57 1 0 0 0 4 58 1 0 0 0 56 59 1 0 0 0 61 60 2 0 0 0 62 61 1 0 0 0 59 62 2 0 0 0 61 63 1 0 0 0 64 65 1 0 0 0 64 66 1 0 0 0 66 63 1 1 0 0 66 67 1 0 0 0 68 64 2 0 0 0 69 71 1 0 0 0 70 71 1 0 0 0 70 72 1 0 0 0 71 65 1 6 0 0 73 70 2 0 0 0 69 74 1 0 0 0 74 75 1 0 0 0 74 76 2 0 0 0 77 78 1 0 0 0 77 79 1 0 0 0 78 72 1 1 0 0 78 80 1 0 0 0 81 77 2 0 0 0 80 82 1 0 0 0 83 84 1 0 0 0 83 85 1 0 0 0 84 79 1 6 0 0 84 86 1 0 0 0 87 83 2 0 0 0 86 88 1 0 0 0 89 90 1 0 0 0 89 91 1 0 0 0 90 92 1 0 0 0 90 85 1 1 0 0 93 89 2 0 0 0 95 94 1 0 0 0 96 94 2 0 0 0 97 95 2 0 0 0 98 96 1 0 0 0 99 97 1 0 0 0 99 98 2 0 0 0 92 94 1 0 0 0 100101 1 0 0 0 100102 1 0 0 0 102 91 1 6 0 0 102103 1 0 0 0 104100 2 0 0 0 105106 2 0 0 0 105107 1 0 0 0 107101 1 0 0 0 107110 1 6 0 0 101108 1 0 0 0 108109 1 0 0 0 109110 1 0 0 0 111105 1 0 0 0 62112 1 4 0 0 M END > CHEBI:139516 > Ara6-ANSSFAP > A glycopeptide consisting of the Ara6 epitope attached to an Ala-Asn-Ser-Ser-Phe-Ala-Pro-NH2 heptapeptide via a [(2-hydroxyethoxy)imino]acetyl linker. > 3 > N-{[(2-{[beta-D-Araf-(1->2)-alpha-D-Araf-(1->3)-[beta-D-Araf-(1->2)-alpha-D-Araf-(1->5)]-alpha-D-Araf-(1->5)-alpha-D-Araf]oxy}ethoxy)imino]acetyl}-L-alanyl-L-asparaginyl-L-seryl-L-seryl-L-phenylalanyl-L-alanyl-L-prolinamide; N-{[(2-{[beta-D-Araf-(1->2)-alpha-D-Araf-(1->3)-[beta-D-Araf-(1->2)-alpha-D-Araf-(1->5)]-alpha-D-Araf-(1->5)-alpha-D-Araf]oxy}ethoxy)imino]acetyl}-Ala-Asn-Ser-Ser-Phe-Ala-Pro-NH2; N-{[(2-{[beta-D-arabinofuranosyl-(1,2)-alpha-D-arabinofuranosyl-(1,3)-[beta-D-arabinofuranosyl-(1,2)-alpha-D-arabinofuranosyl-(1,5)]-alpha-D-arabinofuranosyl-(1,5)-alpha-D-arabinofuranosyl]oxy}ethoxy)imino]acetyl}-L-alanyl-L-asparaginyl-L-seryl-L-seryl-L-phenylalanyl-L-alanyl-L-prolinamide > N-{[(2-{[beta-D-arabinofuranosyl-(1->2)-alpha-D-arabinofuranosyl-(1->3)-[beta-D-arabinofuranosyl-(1->2)-alpha-D-arabinofuranosyl-(1->5)]-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl]oxy}ethoxy)imino]acetyl}-L-alanyl-L-asparaginyl-L-seryl-L-seryl-L-phenylalanyl-L-alanyl-L-prolinamide > C64H98N10O37 > 1599.510 > 1598.60943 > 0 > O1[C@@H]([C@H]([C@@H]([C@H]1OCCON=C(C(=O)N[C@H](C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N2[C@H](C(=O)N)CCC2)=O)C)=O)CC=3C=CC=CC3)=O)CO)=O)CO)=O)=O)C)[H])O)O)CO[C@H]4O[C@@H]([C@H]([C@@H]4O)O[C@H]5O[C@@H]([C@H]([C@@H]5O[C@@H]6O[C@@H]([C@H]([C@@H]6O)O)CO)O)CO)CO[C@H]7O[C@@H]([C@H]([C@@H]7O[C@@H]8O[C@@H]([C@H]([C@@H]8O)O)CO)O)CO > InChI=1S/C64H98N10O37/c1-24(53(93)70-28(14-38(65)81)55(95)72-30(17-76)57(97)73-29(16-75)56(96)71-27(13-26-7-4-3-5-8-26)54(94)69-25(2)58(98)74-10-6-9-31(74)52(66)92)68-39(82)15-67-102-12-11-99-59-45(88)42(85)36(107-59)22-100-60-48(91)49(109-64-51(44(87)35(21-80)106-64)111-62-47(90)41(84)33(19-78)104-62)37(108-60)23-101-63-50(43(86)34(20-79)105-63)110-61-46(89)40(83)32(18-77)103-61/h3-5,7-8,15,24-25,27-37,40-51,59-64,75-80,83-91H,6,9-14,16-23H2,1-2H3,(H2,65,81)(H2,66,92)(H,68,82)(H,69,94)(H,70,93)(H,71,96)(H,72,95)(H,73,97)/t24-,25-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49+,50-,51-,59-,60-,61-,62-,63-,64+/m0/s1 > UITDXRUYLPCWMC-HWATZDTFSA-N > 29255817 $$$$