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CHEBI:152482 - CID 91854861
| 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@]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](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_l6-m2 |
| InChI | InChI=1S/C98H163N7O72/c1-24(117)99-31(10-106)53(129)74(36(128)13-109)167-85-49(102-27(4)120)61(137)78(42(19-115)159-85)172-92-73(149)82(60(136)44(164-92)21-154-93-83(68(144)57(133)38(15-111)158-93)174-87-51(104-29(6)122)63(139)76(40(17-113)161-87)170-90-70(146)66(142)58(134)45(165-90)22-155-97(95(150)151)8-32(124)47(100-25(2)118)80(176-97)54(130)34(126)11-107)173-94-84(72(148)79(43(20-116)163-94)168-86-50(103-28(5)121)62(138)75(39(16-112)160-86)169-89-69(145)65(141)56(132)37(14-110)157-89)175-88-52(105-30(7)123)64(140)77(41(18-114)162-88)171-91-71(147)67(143)59(135)46(166-91)23-156-98(96(152)153)9-33(125)48(101-26(3)119)81(177-98)55(131)35(127)12-108/h31-94,106-116,124-149H,8-23H2,1-7H3,(H,99,117)(H,100,118)(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)(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 | BESSWJOPHRITTK-SLSLSQDVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91854861 (CHEBI:152482) is a polysaccharide (CHEBI:18154) |