EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:151013 - CID 91857961
| Formula | C120H202N6O86 |
| Net Charge | 0 |
| Average Mass | 3104.892 |
| Monoisotopic Mass | 3103.16176 |
| SMILES | CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@@H](O[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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/6,18,17/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5-6-5/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e3-f1_e4-g1_h3-i1_h4-j1_k2-l1_k6-o1_l3-m1_l4-n1_o3-p1_o4-q1 |
| InChI | InChI=1S/C120H202N6O86/c1-26-56(145)69(158)79(168)109(182-26)179-23-38(144)90(61(150)37(12-127)121-31(6)138)199-105-51(122-32(7)139)68(157)91(43(17-132)192-105)201-118-89(178)101(210-120-103(212-108-55(126-36(11)143)100(209-113-83(172)73(162)60(149)30(5)186-113)96(48(22-137)195-108)205-117-87(176)77(166)65(154)42(16-131)190-117)88(177)92(44(18-133)196-120)200-106-53(124-34(9)141)98(207-111-81(170)71(160)58(147)28(3)184-111)94(46(20-135)193-106)203-115-85(174)75(164)63(152)40(14-129)188-115)67(156)50(197-118)25-181-119-102(211-107-54(125-35(10)142)99(208-112-82(171)72(161)59(148)29(4)185-112)95(47(21-136)194-107)204-116-86(175)76(165)64(153)41(15-130)189-116)78(167)66(155)49(198-119)24-180-104-52(123-33(8)140)97(206-110-80(169)70(159)57(146)27(2)183-110)93(45(19-134)191-104)202-114-84(173)74(163)62(151)39(13-128)187-114/h26-30,37-120,127-137,144-178H,12-25H2,1-11H3,(H,121,138)(H,122,139)(H,123,140)(H,124,141)(H,125,142)(H,126,143)/t26-,27-,28-,29-,30-,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+,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+/m0/s1 |
| InChIKey | PXSCBBBKMJISEZ-DEHZNMBASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CID 91857961 (CHEBI:151013) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |