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CHEBI:151793 - CID 71297978

Default Structure
ChEBI IDCHEBI:151793
ChEBI NameCID 71297978
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC164H267N13O117
Net Charge0
Average Mass4292.914
Monoisotopic Mass4290.53426
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[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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[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]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=2.0/8,21,20/[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][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-7-4-2-5-6-7-2-5-6-7-8/a4-b1_a6-u1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_i4-k1_l2-m1_l6-q1_m4-n1_n3-o2_n4-p1_q4-r1_r3-s2_r4-t1
InChIInChI=1S/C164H267N13O117/c1-39-90(215)110(235)113(238)149(258-39)255-37-76-126(104(229)81(140(245)259-76)169-44(6)198)276-146-87(175-50(12)204)107(232)122(66(28-187)265-146)278-151-116(241)134(285-156-139(287-148-89(177-52(14)206)108(233)121(65(27-186)267-148)277-150-114(239)111(236)98(223)75(273-150)38-257-161(157(246)247)15-53(207)77(165-40(2)194)130(288-161)91(216)57(211)19-178)115(240)125(69(31-190)271-156)275-145-86(174-49(11)203)106(231)123(67(29-188)264-145)280-153-118(243)136(128(71(33-192)269-153)283-143-83(171-46(8)200)102(227)96(221)62(24-183)261-143)293-163(159(250)251)17-55(209)79(167-42(4)196)132(290-163)93(218)59(213)21-180)100(225)74(272-151)36-256-155-138(286-147-88(176-51(13)205)109(234)124(68(30-189)266-147)281-154-119(244)137(129(72(34-193)270-154)284-144-84(172-47(9)201)103(228)97(222)63(25-184)262-144)294-164(160(252)253)18-56(210)80(168-43(5)197)133(291-164)94(219)60(214)22-181)112(237)99(224)73(274-155)35-254-141-85(173-48(10)202)105(230)120(64(26-185)263-141)279-152-117(242)135(127(70(32-191)268-152)282-142-82(170-45(7)199)101(226)95(220)61(23-182)260-142)292-162(158(248)249)16-54(208)78(166-41(3)195)131(289-162)92(217)58(212)20-179/h39,53-156,178-193,207-245H,15-38H2,1-14H3,(H,165,194)(H,166,195)(H,167,196)(H,168,197)(H,169,198)(H,170,199)(H,171,200)(H,172,201)(H,173,202)(H,174,203)(H,175,204)(H,176,205)(H,177,206)(H,246,247)(H,248,249)(H,250,251)(H,252,253)/t39-,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+,121+,122+,123+,124+,125+,126+,127-,128-,129-,130+,131+,132+,133+,134-,135+,136+,137+,138-,139-,140?,141+,142-,143-,144-,145-,146-,147-,148-,149+,150-,151-,152-,153-,154-,155-,156+,161+,162-,163-,164-/m0/s1
InChIKeyVYCYSHYMKIPXOB-IHRKFSLMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297978 (CHEBI:151793) 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->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G54158ITGlyTouCan
G54158ITGlyGen