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CHEBI:148807 - CID 91845441

ChEBI IDCHEBI:148807
ChEBI NameCID 91845441
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC134H220N10O102S2
Net Charge0
Average Mass3667.336
Monoisotopic Mass3665.17768
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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=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](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](OS(=O)(=O)O)[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](OS(=O)(=O)O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/9,18,17/[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_3*OSO/3=O/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-4-2-6-7-8-2-6-7-8-9/a4-b1_a6-r1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-n1_j4-k1_k3-l2_k4-m1_n4-o1_o3-p2_o4-q1
InChIInChI=1S/C134H220N10O102S2/c1-31-71(173)88(190)90(192)123(213-31)211-30-60-103(82(184)63(115(199)214-60)137-34(4)161)230-120-68(142-39(9)166)85(187)98(51(21-152)221-120)231-124-92(194)108(238-130-114(240-122-70(144-41(11)168)87(189)100(53(23-154)223-122)233-126-94(196)110(246-248(207,208)209)78(180)49(19-150)218-126)91(193)102(55(25-156)226-130)229-119-67(141-38(8)165)84(186)99(52(22-153)220-119)232-125-93(195)109(245-247(204,205)206)77(179)48(18-149)217-125)79(181)59(227-124)29-212-129-113(239-121-69(143-40(10)167)86(188)101(54(24-155)222-121)235-128-96(198)112(105(57(27-158)225-128)237-118-65(139-36(6)163)81(183)75(177)47(17-148)216-118)244-134(132(202)203)13-43(170)62(136-33(3)160)107(242-134)73(175)45(172)15-146)89(191)76(178)58(228-129)28-210-116-66(140-37(7)164)83(185)97(50(20-151)219-116)234-127-95(197)111(104(56(26-157)224-127)236-117-64(138-35(5)162)80(182)74(176)46(16-147)215-117)243-133(131(200)201)12-42(169)61(135-32(2)159)106(241-133)72(174)44(171)14-145/h31,42-130,145-158,169-199H,12-30H2,1-11H3,(H,135,159)(H,136,160)(H,137,161)(H,138,162)(H,139,163)(H,140,164)(H,141,165)(H,142,166)(H,143,167)(H,144,168)(H,200,201)(H,202,203)(H,204,205,206)(H,207,208,209)/t31-,42-,43-,44+,45+,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+,133-,134-/m0/s1
InChIKeyFVPZYGYMRXZMAP-GLSGINPSSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91845441 (CHEBI:148807) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-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)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[3-O-sulfo-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)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal3S(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
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