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CHEBI:149139 - CID 91852997

ChEBI IDCHEBI:149139
ChEBI NameCID 91852997
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC182H297N13O132
Net Charge0
Average Mass4779.337
Monoisotopic Mass4776.69273
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@]9(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O9)[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@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[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@]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]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@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[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=2.0/6,24,23/[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]/1-1-2-3-1-4-1-4-5-1-4-5-3-1-4-1-4-5-1-4-1-4-5-6/a4-b1_a6-x1_b4-c1_c3-d1_c6-m1_d2-e1_d4-j1_e4-f1_f3-g1_g4-h1_h3-i2_j4-k1_k3-l2_m2-n1_m6-s1_n4-o1_o3-p1_p4-q1_q3-r2_s4-t1_t3-u1_u4-v1_v3-w2
InChIInChI=1S/C182H297N13O132/c1-42-96(237)119(260)121(262)164(284-42)282-41-82-140(110(251)87(155(272)285-82)187-47(6)220)305-158-90(190-50(9)223)113(254)134(72(31-208)295-158)309-168-126(267)148(317-174-154(122(263)139(79(38-215)301-174)304-157-89(189-49(8)222)112(253)135(73(32-209)294-157)310-169-127(268)149(105(246)67(26-203)289-169)324-179(175(273)274)15-56(229)83(183-43(2)216)141(320-179)97(238)60(233)19-196)319-163-95(195-55(14)228)118(259)133(78(37-214)300-163)308-167-125(266)147(104(245)66(25-202)288-167)316-161-93(193-53(12)226)116(257)138(76(35-212)298-161)313-172-130(271)152(108(249)70(29-206)292-172)327-182(178(279)280)18-59(232)86(186-46(5)219)144(323-182)100(241)63(236)22-199)109(250)81(302-168)40-283-173-153(318-162-94(194-54(13)227)117(258)132(77(36-213)299-162)307-166-124(265)146(103(244)65(24-201)287-166)315-160-92(192-52(11)225)115(256)137(75(34-211)297-160)312-171-129(270)151(107(248)69(28-205)291-171)326-181(177(277)278)17-58(231)85(185-45(4)218)143(322-181)99(240)62(235)21-198)120(261)101(242)80(303-173)39-281-156-88(188-48(7)221)111(252)131(71(30-207)293-156)306-165-123(264)145(102(243)64(23-200)286-165)314-159-91(191-51(10)224)114(255)136(74(33-210)296-159)311-170-128(269)150(106(247)68(27-204)290-170)325-180(176(275)276)16-57(230)84(184-44(3)217)142(321-180)98(239)61(234)20-197/h42,56-174,196-215,229-272H,15-41H2,1-14H3,(H,183,216)(H,184,217)(H,185,218)(H,186,219)(H,187,220)(H,188,221)(H,189,222)(H,190,223)(H,191,224)(H,192,225)(H,193,226)(H,194,227)(H,195,228)(H,273,274)(H,275,276)(H,277,278)(H,279,280)/t42-,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+,157-,158-,159-,160-,161-,162-,163-,164+,165-,166-,167-,168-,169-,170-,171-,172-,173-,174+,179-,180-,181-,182-/m0/s1
InChIKeyFRMOAGMUPUTRSA-MOOAQYNDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852997 (CHEBI:149139) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->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)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-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)-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)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->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)]-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(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G25392ZRGlyTouCan
G25392ZRGlyGen