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CHEBI:154785 - CID 91860001
| 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@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]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_f3-g2_h4-i1_j2-k1_k4-l1_l3-m2 |
| InChI | InChI=1S/C98H163N7O72/c1-24(119)99-31(10-106)53(131)72(36(130)13-109)165-85-49(102-27(4)122)61(139)74(42(19-115)159-85)168-90-69(147)80(60(138)46(164-90)23-154-93-83(66(144)57(135)38(15-111)158-93)172-87-51(104-29(6)124)63(141)75(43(20-116)161-87)169-91-70(148)81(58(136)39(16-112)156-91)176-97(95(150)151)8-32(126)47(100-25(2)120)78(174-97)54(132)34(128)11-107)171-94-84(68(146)77(45(22-118)163-94)166-86-50(103-28(5)123)62(140)73(41(18-114)160-86)167-89-67(145)65(143)56(134)37(14-110)155-89)173-88-52(105-30(7)125)64(142)76(44(21-117)162-88)170-92-71(149)82(59(137)40(17-113)157-92)177-98(96(152)153)9-33(127)48(101-26(3)121)79(175-98)55(133)35(129)12-108/h31-94,106-118,126-149H,8-23H2,1-7H3,(H,99,119)(H,100,120)(H,101,121)(H,102,122)(H,103,123)(H,104,124)(H,105,125)(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 | FQOYHZZVSAXOGZ-DGXJEOOFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91860001 (CHEBI:154785) is a polysaccharide (CHEBI:18154) |