Ketcher 02171714092D 1 1.00000 0.00000 0 107110 0 1 0 999 V2000 1.7825 -3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 -3.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3804 -3.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -3.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 -3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8447 -3.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7108 -3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5767 -3.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4427 -3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 -3.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 -4.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1749 -4.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 -5.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8447 -4.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7108 -5.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5767 -4.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4427 -5.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 -6.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8447 -6.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -6.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5767 -6.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4428 -6.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 -6.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5767 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -2.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 -2.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -2.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -2.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 -1.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5767 -0.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 -0.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -0.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 -0.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 -0.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 -2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -6.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -6.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 -4.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 -5.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1748 -6.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1748 -5.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0409 -6.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9068 -6.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7729 -6.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9068 -5.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0409 -7.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1748 -8.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 -7.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4429 -8.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5767 -7.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -8.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8448 -7.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9788 -8.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1127 -7.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -8.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3807 -7.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -8.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 -9.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4429 -9.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5767 -9.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7106 -9.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8448 -9.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9788 -9.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1127 -9.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -9.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3807 -9.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -9.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 -9.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 -9.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 -7.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 -8.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9693 -4.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1032 -6.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3710 -6.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1032 -2.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3712 -3.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3712 -5.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1032 -8.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3710 -9.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6390 -8.0660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9693 -3.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1032 -3.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8354 -3.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2372 -3.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1032 -5.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2372 -4.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2371 -6.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2371 -7.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3710 -8.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5051 -7.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5051 -6.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6390 -6.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7014 -3.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5675 -3.0658 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.4335 -3.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5675 -2.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5675 -4.0658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 19 1 0 0 0 12 14 1 0 0 0 14 13 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 26 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 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 1 44 1 0 0 0 1 45 1 0 0 0 44 45 1 0 0 0 44 34 1 0 0 0 46 20 1 0 0 0 47 46 1 0 0 0 48 15 1 0 0 0 49 48 1 0 0 0 25 50 1 0 0 0 50 51 1 1 0 0 50 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 53 55 2 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 52 56 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 78 77 1 0 0 0 79 78 1 0 0 0 80 67 1 0 0 0 81 79 1 0 0 0 81 80 1 0 0 0 82 91 1 0 0 0 82 95 1 0 0 0 95 83 1 6 0 0 97 83 1 6 0 0 84 97 1 0 0 0 84101 1 0 0 0 92 85 1 6 0 0 94 86 1 1 0 0 96 87 1 6 0 0 98 88 1 6 0 0 99 89 1 1 0 0 100 90 1 6 0 0 54102 1 0 0 0 91 92 1 0 0 0 91 93 1 1 0 0 92 94 1 0 0 0 94 96 1 0 0 0 95 96 1 0 0 0 97 98 1 0 0 0 98 99 1 0 0 0 99100 1 0 0 0 100101 1 0 0 0 101102 1 1 0 0 93103 1 0 0 0 49 47 1 0 0 0 103104 1 0 0 0 104105 1 0 0 0 104106 2 0 0 0 104107 1 0 0 0 M END > CHEBI:133317 > 6'-O-mycolyltrehalose-6'phosphate > A trehalose monomycolate that is α,α-trehalose 6-phosphate carrying an additional mycolyl substituent at position 6'. > 3 > 6'-mycolyl-alpha,alpha-trehalose-6-phosphate > 6-O-phosphono-alpha-D-glucopyranosyl 6-O-{2-[(1R)-1-hydroxy-16-{2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl}hexadecyl]octacosanoyl}-alpha-D-glucopyranoside > C90H173O16P > 1542.304 > 1541.24613 > 0 > C1(CCCCCCCCCCC2C(CCCCCCCCCCCCCCC[C@@H](O)C(C(OC[C@H]3O[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)COP(O)(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)C2)C(C1)CCCCCCCCCCCCCCCCCC > InChI=1S/C90H173O16P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-34-38-42-50-56-62-68-78(88(98)102-72-80-82(92)84(94)86(96)89(104-80)106-90-87(97)85(95)83(93)81(105-90)73-103-107(99,100)101)79(91)69-63-57-51-43-39-35-31-33-37-41-47-53-59-65-75-71-77(75)67-61-55-49-45-44-48-54-60-66-76-70-74(76)64-58-52-46-40-36-32-29-20-18-16-14-12-10-8-6-4-2/h74-87,89-97H,3-73H2,1-2H3,(H2,99,100,101)/t74?,75?,76?,77?,78?,79-,80-,81-,82-,83-,84+,85+,86-,87-,89-,90-/m1/s1 > GXOBNDAJNVBERI-BGZCIIMLSA-N $$$$