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CHEBI:147664 - CID 71298059

ChEBI IDCHEBI:147664
ChEBI NameCID 71298059
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC168H274N12O122
Net Charge0
Average Mass4414.002
Monoisotopic Mass4411.56053
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](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](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](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@]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]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[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@]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](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](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)[C@@H]1O
WURCSWURCS=2.0/7,22,21/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-4-2-5-2-5-2-5-6-2-5-6-7/a4-b1_a6-v1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_k6-s1_l4-m1_m3-n1_n4-o1_o3-p1_p4-q1_q3-r2_s4-t1_t3-u2
InChIInChI=1S/C168H274N12O122/c1-39-89(219)110(240)112(242)151(263-39)261-38-76-129(102(232)81(143(251)264-76)173-44(6)203)282-146-84(176-47(9)206)105(235)124(67(29-192)273-146)285-154-116(246)136(292-160-142(294-150-88(180-51(13)210)109(239)127(72(34-197)277-150)289-158-120(250)140(100(230)65(27-190)270-158)302-168(164(258)259)17-55(214)80(172-43(5)202)133(298-168)93(223)59(218)21-184)113(243)128(73(35-198)278-160)281-145-83(175-46(8)205)104(234)125(68(30-193)272-145)287-156-118(248)138(98(228)63(25-188)268-156)300-166(162(254)255)15-53(212)78(170-41(3)200)131(296-166)91(221)57(216)19-182)101(231)75(279-154)37-262-159-141(111(241)94(224)74(280-159)36-260-144-82(174-45(7)204)103(233)121(66(28-191)271-144)286-155-117(247)137(97(227)62(24-187)267-155)299-165(161(252)253)14-52(211)77(169-40(2)199)130(295-165)90(220)56(215)18-181)293-149-87(179-50(12)209)108(238)123(71(33-196)276-149)284-153-115(245)135(96(226)61(23-186)266-153)290-147-85(177-48(10)207)106(236)122(69(31-194)274-147)283-152-114(244)134(95(225)60(22-185)265-152)291-148-86(178-49(11)208)107(237)126(70(32-195)275-148)288-157-119(249)139(99(229)64(26-189)269-157)301-167(163(256)257)16-54(213)79(171-42(4)201)132(297-167)92(222)58(217)20-183/h39,52-160,181-198,211-251H,14-38H2,1-13H3,(H,169,199)(H,170,200)(H,171,201)(H,172,202)(H,173,203)(H,174,204)(H,175,205)(H,176,206)(H,177,207)(H,178,208)(H,179,209)(H,180,210)(H,252,253)(H,254,255)(H,256,257)(H,258,259)/t39-,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-,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+,165-,166-,167-,168-/m0/s1
InChIKeyJUQSTGBZBWIUEQ-VJANQWAHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71298059 (CHEBI:147664) 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->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->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[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->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)]-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(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G14431ZQGlyGen
G14431ZQGlyTouCan