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CHEBI:153089 - CID 91852557

Default Structure
ChEBI IDCHEBI:153089
ChEBI NameCID 91852557
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H171N7O77
Net Charge0
Average Mass2751.484
Monoisotopic Mass2749.96802
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(O)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]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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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-1x_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5-6-4-5-6-3-4-5-4-5/a4-b1_b3-c1_b6-j1_c2-d1_c4-g1_d4-e1_e6-f2_g4-h1_h6-i2_j2-k1_j6-m1_k4-l1_m4-n1
InChIInChI=1S/C104H171N7O77/c1-24(122)105-47-31(129)8-103(101(158)159,187-84(47)54(133)33(131)10-112)164-22-45-58(137)69(148)74(153)96(175-45)181-81-39(16-118)170-91(51(64(81)143)109-28(5)126)178-83-42(19-121)173-100(88(76(83)155)186-93-53(111-30(7)128)66(145)82(41(18-120)172-93)182-97-75(154)70(149)59(138)46(176-97)23-165-104(102(160)161)9-32(130)48(106-25(2)123)85(188-104)55(134)34(132)11-113)184-86-61(140)44(174-98(77(86)156)183-78-37(14-116)166-89(157)49(62(78)141)107-26(3)124)21-163-99-87(185-92-52(110-29(6)127)65(144)80(40(17-119)171-92)180-95-73(152)68(147)57(136)36(13-115)168-95)71(150)60(139)43(177-99)20-162-90-50(108-27(4)125)63(142)79(38(15-117)169-90)179-94-72(151)67(146)56(135)35(12-114)167-94/h31-100,112-121,129-157H,8-23H2,1-7H3,(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,128)(H,158,159)(H,160,161)/t31-,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+,103+,104+/m0/s1
InChIKeyHLGKWLLAHCGOFB-ADTYZYSNSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852557 (CHEBI:153089) 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)-[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->4)]-alpha-D-manno-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->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G68321OYGlyGen
G68321OYGlyTouCan