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CHEBI:154506 - CID 91861867
| 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)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]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]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]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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=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](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]/1-2-3-4-2-5-2-6-5-4-2-5-2-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g3-h1_g4-i1_j2-k1_j6-m1_k4-l1_m4-n1 |
| InChI | InChI=1S/C96H162N6O70/c1-22-48(122)60(134)66(140)89(149-22)169-80-47(102-28(7)120)88(158-40(19-114)79(80)168-93-70(144)64(138)53(127)34(13-108)153-93)163-78-39(18-113)159-96(83(71(78)145)172-87-46(101-27(6)119)59(133)76(37(16-111)157-87)166-92-69(143)63(137)52(126)33(12-107)152-92)170-81-55(129)42(160-94(72(81)146)167-77-38(17-112)155-85(44(57(77)131)99-25(4)117)162-73(30(121)9-104)49(123)29(8-103)97-23(2)115)21-148-95-82(171-86-45(100-26(5)118)58(132)75(36(15-110)156-86)165-91-68(142)62(136)51(125)32(11-106)151-91)65(139)54(128)41(161-95)20-147-84-43(98-24(3)116)56(130)74(35(14-109)154-84)164-90-67(141)61(135)50(124)31(10-105)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 | OBMTZXYCQNBQCK-PPHJRXKHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91861867 (CHEBI:154506) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |