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CHEBI:148413 - CID 91846920
| Formula | C100H169N5O75 |
| Net Charge | 0 |
| Average Mass | 2641.412 |
| Monoisotopic Mass | 2639.95640 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/6,15,14/[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][a1221m-1a_1-5]/1-2-3-4-2-5-5-4-2-5-5-2-5-5-6/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g1_h2-i1_h6-l1_i4-j1_j3-k1_l4-m1_m3-n1 |
| InChI | InChI=1S/C100H169N5O75/c1-22-47(124)62(139)68(145)91(156-22)153-19-29(123)76(48(125)28(7-106)101-23(2)118)170-88-44(103-25(4)120)59(136)80(38(16-115)165-88)174-98-75(152)84(178-100-86(66(143)52(129)33(11-110)163-100)180-90-46(105-27(6)122)61(138)79(40(18-117)167-90)173-97-74(151)83(56(133)36(14-113)162-97)177-94-71(148)65(142)51(128)32(10-109)159-94)57(134)42(168-98)21-155-99-85(179-89-45(104-26(5)121)60(137)78(39(17-116)166-89)172-96-73(150)82(55(132)35(13-112)161-96)176-93-70(147)64(141)50(127)31(9-108)158-93)67(144)53(130)41(169-99)20-154-87-43(102-24(3)119)58(135)77(37(15-114)164-87)171-95-72(149)81(54(131)34(12-111)160-95)175-92-69(146)63(140)49(126)30(8-107)157-92/h22,28-100,106-117,123-152H,7-21H2,1-6H3,(H,101,118)(H,102,119)(H,103,120)(H,104,121)(H,105,122)/t22-,28-,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-,97-,98-,99-,100+/m0/s1 |
| InChIKey | PUQRJRDQDQSIAG-WMMDLQSOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91846920 (CHEBI:148413) is a polysaccharide (CHEBI:18154) |