EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:151936 - CID 91846016

ChEBI IDCHEBI:151936
ChEBI NameCID 91846016
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H163N7O70
Net Charge0
Average Mass2559.361
Monoisotopic Mass2557.94102
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[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](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,14,13/[a2122h-1x_1-5_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]/1-2-3-4-2-5-2-2-5-2-4-2-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g1_h4-i1_k2-l1_l4-m1
InChIInChI=1S/C98H163N7O70/c1-22-50(124)64(138)68(142)92(151-22)149-20-41-79(59(133)43(85(148)152-41)99-23(2)117)166-89-47(103-27(6)121)61(135)77(38(17-114)160-89)170-96-73(147)82(80(171-86-44(100-24(3)118)57(131)51(125)30(9-106)153-86)42(164-96)21-150-97-83(67(141)55(129)34(13-110)158-97)174-90-48(104-28(7)122)62(136)75(37(16-113)161-90)168-94-70(144)66(140)54(128)33(12-109)156-94)173-98-84(71(145)78(40(19-116)163-98)165-88-46(102-26(5)120)60(134)74(36(15-112)159-88)167-93-69(143)65(139)53(127)32(11-108)155-93)175-91-49(105-29(8)123)63(137)76(39(18-115)162-91)169-95-72(146)81(56(130)35(14-111)157-95)172-87-45(101-25(4)119)58(132)52(126)31(10-107)154-87/h22,30-98,106-116,124-148H,9-21H2,1-8H3,(H,99,117)(H,100,118)(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)/t22-,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-,97-,98+/m0/s1
InChIKeyZQNSTWVGMXNHIU-VYWZWIESSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846016 (CHEBI:151936) is a polysaccharide (CHEBI:18154)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G50343XZGlyTouCan
G50343XZGlyGen