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CHEBI:147799 - CID 91851937

ChEBI IDCHEBI:147799
ChEBI NameCID 91851937
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC142H231N11O102
Net Charge0
Average Mass3724.385
Monoisotopic Mass3722.32269
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]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@]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](O)[C@H](O)[C@H]5NC(C)=O)[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=2.0/7,18,17/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-6-5-3-1-6-5-1-6-5-7/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_k6-o1_l4-m1_m3-n2_o4-p1_p3-q2
InChIInChI=1S/C142H231N11O102/c1-34-78(186)96(204)98(206)128(225-34)222-32-66-110(90(198)71(121(212)226-66)147-39(6)171)241-125-75(151-43(10)175)94(202)106(59(26-163)232-125)242-129-100(208)115(246-134-120(248-127-76(152-44(11)176)92(200)104(58(25-162)233-127)239-123-72(148-40(7)172)89(197)83(191)65(236-123)33-224-139(135(213)214)13-46(178)67(143-35(2)167)111(249-139)79(187)50(182)17-154)99(207)109(62(29-166)235-134)240-124-74(150-42(9)174)93(201)107(60(27-164)231-124)244-131-102(210)117(86(194)55(22-159)228-131)254-141(137(217)218)15-48(180)69(145-37(4)169)113(251-141)81(189)52(184)19-156)88(196)64(237-129)31-223-133-119(247-126-77(153-45(12)177)95(203)108(61(28-165)234-126)245-132-103(211)118(87(195)56(23-160)229-132)255-142(138(219)220)16-49(181)70(146-38(5)170)114(252-142)82(190)53(185)20-157)97(205)84(192)63(238-133)30-221-122-73(149-41(8)173)91(199)105(57(24-161)230-122)243-130-101(209)116(85(193)54(21-158)227-130)253-140(136(215)216)14-47(179)68(144-36(3)168)112(250-140)80(188)51(183)18-155/h34,46-134,154-166,178-212H,13-33H2,1-12H3,(H,143,167)(H,144,168)(H,145,169)(H,146,170)(H,147,171)(H,148,172)(H,149,173)(H,150,174)(H,151,175)(H,152,176)(H,153,177)(H,213,214)(H,215,216)(H,217,218)(H,219,220)/t34-,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+,139+,140-,141-,142-/m0/s1
InChIKeyPFFAJJCFKIQVAJ-RGYZTUSRSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91851937 (CHEBI:147799) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-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)]-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)GalNAc(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)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G17964DYGlyTouCan
G17964DYGlyGen