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CHEBI:147444 - CID 91847168

ChEBI IDCHEBI:147444
ChEBI NameCID 91847168
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC148H241N11O107
Net Charge0
Average Mass3886.526
Monoisotopic Mass3884.37551
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@]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](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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=2.0/7,19,18/[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]/1-2-3-4-2-5-6-2-5-6-2-4-2-5-6-2-5-6-7/a4-b1_a6-s1_b4-c1_c3-d1_c4-k1_c6-l1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_l2-m1_l6-p1_m4-n1_n3-o2_p4-q1_q3-r2
InChIInChI=1S/C148H241N11O107/c1-35-80(194)98(212)100(214)133(233-35)231-33-67-113(92(206)73(126(221)234-67)153-40(6)179)249-130-77(157-44(10)183)95(209)111(62(28-171)242-130)254-138-106(220)123(256-140-125(258-132-79(159-46(12)185)97(211)110(64(30-173)244-132)253-137-105(219)122(90(204)59(25-168)239-137)266-148(144(228)229)16-50(189)72(152-39(5)178)118(262-148)84(198)54(193)20-163)101(215)112(65(31-174)245-140)248-129-76(156-43(9)182)94(208)108(61(27-170)241-129)251-135-103(217)120(88(202)57(23-166)237-135)264-146(142(224)225)14-48(187)70(150-37(3)176)116(260-146)82(196)52(191)18-161)114(255-128-74(154-41(7)180)91(205)85(199)55(21-164)235-128)68(247-138)34-232-139-124(257-131-78(158-45(11)184)96(210)109(63(29-172)243-131)252-136-104(218)121(89(203)58(24-167)238-136)265-147(143(226)227)15-49(188)71(151-38(4)177)117(261-147)83(197)53(192)19-162)99(213)86(200)66(246-139)32-230-127-75(155-42(8)181)93(207)107(60(26-169)240-127)250-134-102(216)119(87(201)56(22-165)236-134)263-145(141(222)223)13-47(186)69(149-36(2)175)115(259-145)81(195)51(190)17-160/h35,47-140,160-174,186-221H,13-34H2,1-12H3,(H,149,175)(H,150,176)(H,151,177)(H,152,178)(H,153,179)(H,154,180)(H,155,181)(H,156,182)(H,157,183)(H,158,184)(H,159,185)(H,222,223)(H,224,225)(H,226,227)(H,228,229)/t35-,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-,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+,145-,146-,147-,148-/m0/s1
InChIKeyDLKQKSQHCSUDHC-SJFLNPAOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847168 (CHEBI:147444) 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->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->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)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G16743OMGlyTouCan
G16743OMGlyGen