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CHEBI:153680 - CID 91854029
| Formula | C98H163N7O72 |
| Net Charge | 0 |
| Average Mass | 2591.359 |
| Monoisotopic Mass | 2589.93085 |
| 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](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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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]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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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=2.0/6,13,12/[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][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-2-5-4-2-5-6/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_k4-l1_l3-m2 |
| InChI | InChI=1S/C98H163N7O72/c1-24(118)99-31(10-106)53(130)73(36(129)13-109)166-85-49(102-27(4)121)61(138)76(42(19-115)159-85)170-91-71(148)81(60(137)45(164-91)22-154-93-83(67(144)57(134)38(15-111)158-93)173-87-51(104-29(6)123)64(141)77(43(20-116)161-87)171-92-72(149)82(59(136)39(16-112)157-92)177-98(96(152)153)9-33(126)48(101-26(3)120)80(176-98)55(132)35(128)12-108)172-94-84(70(147)78(44(21-117)163-94)167-86-50(103-28(5)122)62(139)74(40(17-113)160-86)168-89-68(145)65(142)56(133)37(14-110)156-89)174-88-52(105-30(7)124)63(140)75(41(18-114)162-88)169-90-69(146)66(143)58(135)46(165-90)23-155-97(95(150)151)8-32(125)47(100-25(2)119)79(175-97)54(131)34(127)11-107/h31-94,106-117,125-149H,8-23H2,1-7H3,(H,99,118)(H,100,119)(H,101,120)(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,150,151)(H,152,153)/t31-,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+,97+,98-/m0/s1 |
| InChIKey | MCVMHULBXYMKKF-DQRCZYMBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91854029 (CHEBI:153680) is a polysaccharide (CHEBI:18154) |