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CHEBI:154555 - CID 71298459

ChEBI IDCHEBI:154555
ChEBI NameCID 71298459
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC113H182N10O81
Net Charge0
Average Mass2976.688
Monoisotopic Mass2975.04298
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]6[C@@H](O)[C@@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)OC(O)[C@@H]6NC(C)=O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,13,12/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-2-3-2-4-4-4-4-4/a3-b1_a6-m2_b4-c1_c3-d1_c6-l2_d4-e1_e3-f1_e6-k2_f4-g1_g3-h1_g6-j2_h4-i2
InChIInChI=1S/C113H182N10O81/c1-29(133)114-57-39(143)11-109(104(170)171,200-88(57)67(153)44(148)16-124)180-25-53-72(158)87(66(96(169)184-53)123-38(10)142)195-97-62(119-34(6)138)76(162)83(49(21-129)185-97)192-101-80(166)93(73(159)54(189-101)26-181-110(105(172)173)12-40(144)58(115-30(2)134)89(201-110)68(154)45(149)17-125)196-98-63(120-35(7)139)77(163)84(50(22-130)186-98)193-102-81(167)94(74(160)55(190-102)27-182-111(106(174)175)13-41(145)59(116-31(3)135)90(202-111)69(155)46(150)18-126)197-99-64(121-36(8)140)78(164)85(51(23-131)187-99)194-103-82(168)95(75(161)56(191-103)28-183-112(107(176)177)14-42(146)60(117-32(4)136)91(203-112)70(156)47(151)19-127)198-100-65(122-37(9)141)79(165)86(52(24-132)188-100)199-113(108(178)179)15-43(147)61(118-33(5)137)92(204-113)71(157)48(152)20-128/h39-103,124-132,143-169H,11-28H2,1-10H3,(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,121,140)(H,122,141)(H,123,142)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)/t39-,40-,41-,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-,109+,110+,111+,112+,113+/m0/s1
InChIKeyVEGJEONKPNGXEG-HYVMPABHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71298459 (CHEBI:154555) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
NeuAc(a2-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]GalNAcSUBMITTER
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