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CHEBI:154690 - CID 91852161
| Formula | C96H162N6O70 |
| Net Charge | 0 |
| Average Mass | 2520.324 |
| Monoisotopic Mass | 2518.93012 |
| 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](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]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[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]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/6,14,13/[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][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-4-2-5-2-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f2-g1_g4-h1_i2-j1_j4-k1_k2-l1_l4-m1 |
| InChI | InChI=1S/C96H162N6O70/c1-22-48(122)62(136)69(143)89(149-22)147-20-30(121)73(49(123)29(8-103)97-23(2)115)162-84-43(98-24(3)116)57(131)76(39(17-112)156-84)165-92-72(146)79(168-96-83(68(142)55(129)36(14-109)155-96)172-88-47(102-28(7)120)61(135)78(41(19-114)160-88)167-95-82(67(141)54(128)35(13-108)154-95)171-87-45(100-26(5)118)59(133)75(38(16-111)158-87)164-91-71(145)64(138)51(125)32(10-105)151-91)56(130)42(161-92)21-148-93-80(65(139)52(126)33(11-106)152-93)169-85-46(101-27(6)119)60(134)77(40(18-113)159-85)166-94-81(66(140)53(127)34(12-107)153-94)170-86-44(99-25(4)117)58(132)74(37(15-110)157-86)163-90-70(144)63(137)50(124)31(9-104)150-90/h22,29-96,103-114,121-146H,8-21H2,1-7H3,(H,97,115)(H,98,116)(H,99,117)(H,100,118)(H,101,119)(H,102,120)/t22-,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 | BCCSAJKYRFGYHB-XLGWHJHRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91852161 (CHEBI:154690) is a polysaccharide (CHEBI:18154) |