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CHEBI:154217 - CID 91859602

Default Structure
ChEBI IDCHEBI:154217
ChEBI NameCID 91859602
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H167N7O74
Net Charge0
Average Mass2663.422
Monoisotopic Mass2661.95198
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@H](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](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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,14,13/[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-1a_1-5]/1-1-2-3-1-4-5-1-4-3-1-4-6-1/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_j6-n1_k4-l1_l3-m1
InChIInChI=1S/C101H167N7O74/c1-23(120)102-45-30(127)8-101(100(154)155,182-82(45)52(129)31(128)9-109)158-22-44-56(133)68(145)72(149)95(170-44)175-78-38(16-116)167-92(51(64(78)141)108-29(7)126)181-86-73(150)81(173-90-49(106-27(5)124)62(139)77(37(15-115)165-90)174-93-70(147)66(143)54(131)33(11-111)161-93)41(19-119)168-99(86)179-84-59(136)43(169-97(75(84)152)177-80-39(17-117)164-89(48(63(80)140)105-26(4)123)172-76-36(14-114)159-87(153)46(61(76)138)103-24(2)121)21-157-98-85(69(146)57(134)42(171-98)20-156-88-47(104-25(3)122)60(137)53(130)32(10-110)160-88)180-91-50(107-28(6)125)65(142)79(40(18-118)166-91)176-96-74(151)83(58(135)35(13-113)163-96)178-94-71(148)67(144)55(132)34(12-112)162-94/h30-99,109-119,127-153H,8-22H2,1-7H3,(H,102,120)(H,103,121)(H,104,122)(H,105,123)(H,106,124)(H,107,125)(H,108,126)(H,154,155)/t30-,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+,101+/m0/s1
InChIKeyOPMXXEADAVMMOZ-NDQZCEOCSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91859602 (CHEBI:154217) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-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)-[alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G76073FFGlyGen
G76073FFGlyTouCan