EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:151289 - CID 91849889
| 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[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]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[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]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]/1-2-3-4-2-5-2-5-4-2-5-2-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l3-m1 |
| InChI | InChI=1S/C96H162N6O70/c1-22-48(121)61(134)67(140)89(150-22)147-19-30(120)74(49(122)29(8-103)97-23(2)114)163-85-43(98-24(3)115)57(130)78(39(17-112)156-85)168-94-73(146)81(170-96-83(172-88-46(101-27(6)118)60(133)77(38(16-111)159-88)167-92-70(143)64(137)52(125)33(11-106)154-92)72(145)79(40(18-113)160-96)164-86-44(99-25(4)116)58(131)75(36(14-109)157-86)165-90-68(141)62(135)50(123)31(9-104)152-90)56(129)42(161-94)21-149-95-82(171-87-45(100-26(5)117)59(132)76(37(15-110)158-87)166-91-69(142)63(136)51(124)32(10-105)153-91)66(139)54(127)41(162-95)20-148-84-47(102-28(7)119)80(55(128)35(13-108)151-84)169-93-71(144)65(138)53(126)34(12-107)155-93/h22,29-96,103-113,120-146H,8-21H2,1-7H3,(H,97,114)(H,98,115)(H,99,116)(H,100,117)(H,101,118)(H,102,119)/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 | SDKWFUDPSVSBFS-ZHYQPNBESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91849889 (CHEBI:151289) is a polysaccharide (CHEBI:18154) |