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CHEBI:152717 - CID 91849348

Default Structure
ChEBI IDCHEBI:152717
ChEBI NameCID 91849348
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H170N6O75
Net Charge0
Average Mass2680.449
Monoisotopic Mass2678.96730
SMILESCC(=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]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[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]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]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
WURCSWURCS=2.0/7,15,14/[a2122h-1x_1-5_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][a2112h-1a_1-5]/1-2-3-4-2-5-6-2-6-4-2-6-2-6-7/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_j2-k1_j6-m1_k4-l1_m4-n1_n3-o1
InChIInChI=1S/C102H170N6O75/c1-22-49(127)62(140)68(146)94(157-22)179-83-48(108-28(7)126)93(168-40(19-120)82(83)178-97-71(149)65(143)52(130)31(10-111)161-97)183-87-73(151)81(173-91-46(106-26(5)124)59(137)78(36(15-116)166-91)174-95-69(147)63(141)50(128)29(8-109)159-95)39(18-119)169-102(87)181-85-56(134)42(170-100(75(85)153)177-80-38(17-118)165-90(45(60(80)138)105-25(4)123)172-76-34(13-114)158-88(154)43(57(76)135)103-23(2)121)21-156-101-86(182-92-47(107-27(6)125)61(139)79(37(16-117)167-92)175-96-70(148)64(142)51(129)30(9-110)160-96)67(145)54(132)41(171-101)20-155-89-44(104-24(3)122)58(136)77(35(14-115)164-89)176-99-74(152)84(55(133)33(12-113)163-99)180-98-72(150)66(144)53(131)32(11-112)162-98/h22,29-102,109-120,127-154H,8-21H2,1-7H3,(H,103,121)(H,104,122)(H,105,123)(H,106,124)(H,107,125)(H,108,126)/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-,97-,98+,99-,100-,101-,102+/m0/s1
InChIKeyOWUGORWRLNMALD-ZEHDJETOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91849348 (CHEBI:152717) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->6)-[6-deoxy-alpha-L-galacto-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-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G63659FKGlyGen
G63659FKGlyTouCan