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CHEBI:152994 - CID 91847428

ChEBI IDCHEBI:152994
ChEBI NameCID 91847428
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC254H418N16O182
Net Charge0
Average Mass6608.068
Monoisotopic Mass6604.39451
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[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]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@]%11(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O%11)[C@H]%10O)[C@H](O[C@@H]%10O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%10O)[C@H]9NC(C)=O)[C@H]8O)[C@H](O)[C@H]7NC(C)=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]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[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]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O[C@@H]%10O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%10O)[C@H]9NC(C)=O)[C@H]8O)[C@H](O[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[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]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO[C@]%11(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O%11)[C@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9NC(C)=O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/6,36,35/[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][a1221m-1a_1-5]/1-1-2-3-1-4-1-4-1-4-5-1-6-4-1-6-4-1-6-4-3-1-4-1-4-1-4-1-4-1-4-1-6-4-5-6/a4-b1_a6-J1_b4-c1_c3-d1_c6-u1_d3-e1_d4-l1_e4-f1_f3-g1_g4-h1_h3-i1_i4-j1_j6-k2_l3-m1_l4-n1_n3-o1_o3-p1_o4-q1_q3-r1_r3-s1_r4-t1_u2-v1_u6-B1_v4-w1_w3-x1_x4-y1_y3-z1_z4-A1_B4-C1_C3-D1_D4-E1_E3-F1_F3-G1_F4-H1_H3-I2
InChIInChI=1S/C254H418N16O182/c1-55-125(318)156(349)165(358)231(386-55)383-53-108-193(146(339)111(217(377)391-108)257-62(8)300)420-219-113(259-64(10)302)148(341)192(94(40-287)404-219)429-247-181(374)213(145(338)106(417-247)52-384-250-216(449-226-120(266-71(17)309)155(348)191(99(45-292)411-226)428-243-177(370)209(140(333)86(32-279)398-243)443-224-117(263-68(14)306)152(345)187(96(42-289)408-224)424-240-174(367)206(137(330)83(29-276)395-240)439-220-114(260-65(11)303)149(342)185(92(38-285)405-220)421-236-170(363)161(354)132(325)80(26-273)392-236)164(357)135(328)105(419-250)51-382-218-112(258-63(9)301)147(340)184(91(37-284)403-218)423-239-173(366)205(136(329)82(28-275)394-239)441-222-118(264-69(15)307)153(346)189(97(43-290)409-222)426-244-178(371)210(141(334)87(33-280)399-244)444-229-124(270-75(21)313)204(438-235-169(362)160(353)129(322)59(5)390-235)197(103(49-296)415-229)434-248-182(375)214(144(337)90(36-283)402-248)452-254(252(380)381)23-77(315)110(256-61(7)299)200(451-254)131(324)79(317)25-272)447-249-183(376)215(448-225-119(265-70(16)308)154(347)190(98(44-291)410-225)427-242-176(369)208(139(332)85(31-278)397-242)442-223-116(262-67(13)305)151(344)188(95(41-288)407-223)425-241-175(368)207(138(331)84(30-277)396-241)440-221-115(261-66(12)304)150(343)186(93(39-286)406-221)422-238-172(365)163(356)134(327)107(418-238)54-385-253(251(378)379)22-76(314)109(255-60(6)298)199(450-253)130(323)78(316)24-271)198(104(50-297)416-249)430-227-121(267-72(18)310)201(435-232-166(359)157(350)126(319)56(2)387-232)195(101(47-294)412-227)432-245-179(372)212(143(336)88(34-281)400-245)446-230-123(269-74(20)312)203(437-234-168(361)159(352)128(321)58(4)389-234)196(102(48-295)414-230)433-246-180(373)211(142(335)89(35-282)401-246)445-228-122(268-73(19)311)202(436-233-167(360)158(351)127(320)57(3)388-233)194(100(46-293)413-228)431-237-171(364)162(355)133(326)81(27-274)393-237/h55-59,76-250,271-297,314-377H,22-54H2,1-21H3,(H,255,298)(H,256,299)(H,257,300)(H,258,301)(H,259,302)(H,260,303)(H,261,304)(H,262,305)(H,263,306)(H,264,307)(H,265,308)(H,266,309)(H,267,310)(H,268,311)(H,269,312)(H,270,313)(H,378,379)(H,380,381)/t55-,56-,57-,58-,59-,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+,157+,158+,159+,160+,161-,162-,163-,164-,165-,166-,167-,168-,169-,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,181-,182+,183-,184+,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215+,216-,217+,218+,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231+,232-,233-,234-,235-,236-,237-,238-,239-,240-,241-,242-,243-,244-,245-,246-,247-,248-,249+,250-,253+,254-/m0/s1
InChIKeyQFKCOXOPFZQAGW-GPSCOWQQSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847428 (CHEBI:152994) is a polysaccharide (CHEBI:18154)
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->3)-beta-D-galacto-hexopyranosyl-(1->4)-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->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-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)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-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->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->3)-beta-D-galacto-hexopyranosyl-(1->4)-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)]-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G67612NOGlyTouCan
G67612NOGlyGen