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CHEBI:151287 - CID 91857474
| Formula | C115H190N8O87S |
| Net Charge | 0 |
| Average Mass | 3108.821 |
| Monoisotopic Mass | 3107.04099 |
| 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](COS(=O)(=O)O)[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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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=2.0/8,15,14/[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][a2112h-1b_1-5_6*OSO/3=O/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-4-2-7-6-8/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_l4-m1_m3-n2 |
| InChI | InChI=1S/C115H190N8O87S/c1-28-62(150)76(164)79(167)103(186-28)182-24-44(149)85(63(151)37(13-124)116-29(2)135)197-99-58(120-33(6)139)72(160)87(48(20-131)189-99)200-105-82(170)94(70(158)52(194-105)25-183-108-97(78(166)67(155)45(17-128)188-108)204-101-60(122-35(8)141)75(163)89(50(22-133)191-101)202-107-84(172)96(71(159)54(196-107)27-185-211(179,180)181)210-115(112(177)178)12-40(145)57(119-32(5)138)93(208-115)66(154)43(148)16-127)203-109-98(205-102-61(123-36(9)142)74(162)86(47(19-130)192-102)199-104-80(168)77(165)68(156)53(195-104)26-184-113(110(173)174)10-38(143)55(117-30(3)136)91(206-113)64(152)41(146)14-125)81(169)90(51(23-134)193-109)198-100-59(121-34(7)140)73(161)88(49(21-132)190-100)201-106-83(171)95(69(157)46(18-129)187-106)209-114(111(175)176)11-39(144)56(118-31(4)137)92(207-114)65(153)42(147)15-126/h28,37-109,124-134,143-172H,10-27H2,1-9H3,(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(H,173,174)(H,175,176)(H,177,178)(H,179,180,181)/t28-,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-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109+,113+,114-,115-/m0/s1 |
| InChIKey | VLPBSCFWICBBIK-HSFDWUSISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91857474 (CHEBI:151287) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |