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CHEBI:152528 - CID 91860233
| Formula | C96H162N6O71 |
| Net Charge | 0 |
| Average Mass | 2536.323 |
| Monoisotopic Mass | 2534.92504 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]4[C@@H](O[C@@H]5[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)O[C@@H]6CO)O[C@H](CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/5,14,13/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-2-5-2-5-4-2-5-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_e4-f1_f3-g1_g4-h1_h3-i1_i4-j1_k2-l1_l4-m1_m3-n1 |
| InChI | InChI=1S/C96H162N6O71/c1-22(117)97-28(7-103)48(124)72(29(123)8-104)162-84-43(98-23(2)118)57(133)77(38(17-113)156-84)167-94-71(147)81(56(132)42(161-94)21-148-95-82(64(140)51(127)32(11-107)154-95)172-87-46(101-26(5)121)60(136)75(40(19-115)159-87)166-93-70(146)80(55(131)36(15-111)153-93)170-90-67(143)63(139)50(126)31(10-106)150-90)171-96-83(65(141)52(128)33(12-108)155-96)173-88-47(102-27(6)122)61(137)76(41(20-116)160-88)165-92-69(145)79(54(130)35(14-110)152-92)169-86-45(100-25(4)120)59(135)74(39(18-114)158-86)164-91-68(144)78(53(129)34(13-109)151-91)168-85-44(99-24(3)119)58(134)73(37(16-112)157-85)163-89-66(142)62(138)49(125)30(9-105)149-89/h28-96,103-116,123-147H,7-21H2,1-6H3,(H,97,117)(H,98,118)(H,99,119)(H,100,120)(H,101,121)(H,102,122)/t28-,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51+,52+,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67+,68-,69+,70-,71-,72+,73+,74+,75+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96+/m0/s1 |
| InChIKey | QYSZZLXELZYKQD-CUIHBACISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91860233 (CHEBI:152528) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |