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CHEBI:154002 - CID 91853640

ChEBI IDCHEBI:154002
ChEBI NameCID 91853640
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC146H238N10O106
Net Charge0
Average Mass3829.474
Monoisotopic Mass3827.35405
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@]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]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[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@]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]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@]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)[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=2.0/7,19,18/[a2122h-1a_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][a2112m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-7-5-6-7/a4-b1_a6-s1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_k6-o1_l4-m1_m3-n2_o3-p1_o4-q1_q3-r2
InChIInChI=1S/C146H238N10O106/c1-34-77(189)94(206)97(209)130(229-34)227-33-66-110(89(201)71(124(217)231-66)151-40(7)175)245-127-73(153-42(9)177)91(203)105(58(25-165)238-127)246-132-100(212)117(252-138-123(254-129-75(155-44(11)179)93(205)108(61(28-168)240-129)249-135-103(215)120(86(198)56(23-163)234-135)261-145(141(222)223)15-48(183)69(149-38(5)173)114(257-145)81(193)52(187)19-159)99(211)109(62(29-169)241-138)244-126-72(152-41(8)176)90(202)106(59(26-166)237-126)247-133-101(213)118(84(196)54(21-161)232-133)259-143(139(218)219)13-46(181)67(147-36(3)171)112(255-143)79(191)50(185)17-157)88(200)65(242-132)32-228-137-122(253-128-74(154-43(10)178)92(204)107(60(27-167)239-128)248-134-102(214)119(85(197)55(22-162)233-134)260-144(140(220)221)14-47(182)68(148-37(4)172)113(256-144)80(192)51(186)18-158)96(208)83(195)64(243-137)31-226-125-76(156-45(12)180)116(251-131-98(210)95(207)78(190)35(2)230-131)111(63(30-170)236-125)250-136-104(216)121(87(199)57(24-164)235-136)262-146(142(224)225)16-49(184)70(150-39(6)174)115(258-146)82(194)53(188)20-160/h34-35,46-138,157-170,181-217H,13-33H2,1-12H3,(H,147,171)(H,148,172)(H,149,173)(H,150,174)(H,151,175)(H,152,176)(H,153,177)(H,154,178)(H,155,179)(H,156,180)(H,218,219)(H,220,221)(H,222,223)(H,224,225)/t34-,35-,46+,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-,143+,144+,145+,146+/m1/s1
InChIKeySKEJYVMPIFJZQF-VEEBPVHISA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91853640 (CHEBI:154002) 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)-[6-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-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-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-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)[D-Fuc(a1-3)]GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[D-Fuc(a1-6)]a-GlcNAcSUBMITTER
Manual XrefsDatabases
G78341OFGlyTouCan