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CHEBI:153269 - CID 91854698

ChEBI IDCHEBI:153269
ChEBI NameCID 91854698
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC123H201N9O90
Net Charge0
Average Mass3245.934
Monoisotopic Mass3244.14281
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)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@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@]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](O)[C@H](O)[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@]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]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@]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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,16,15/[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]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1
InChIInChI=1S/C123H201N9O90/c1-29(144)124-57-38(153)10-121(118(186)187,220-99(57)66(159)41(156)13-133)194-26-54-70(163)82(175)87(180)112(206-54)213-94-47(19-139)201-108(63(77(94)170)130-35(7)150)211-98-51(23-143)204-117(104(90(98)183)219-110-65(132-37(9)152)80(173)96(49(21-141)203-110)215-114-89(182)84(177)72(165)56(208-114)28-196-123(120(190)191)12-40(155)59(126-31(3)146)101(222-123)68(161)43(158)15-135)217-102-74(167)53(205-115(91(102)184)216-97-50(22-142)200-107(62(78(97)171)129-34(6)149)210-92-45(17-137)197-105(185)60(75(92)168)127-32(4)147)25-193-116-103(85(178)73(166)52(209-116)24-192-106-61(128-33(5)148)76(169)93(46(18-138)199-106)212-111-86(179)81(174)69(162)44(16-136)198-111)218-109-64(131-36(8)151)79(172)95(48(20-140)202-109)214-113-88(181)83(176)71(164)55(207-113)27-195-122(119(188)189)11-39(154)58(125-30(2)145)100(221-122)67(160)42(157)14-134/h38-117,133-143,153-185H,10-28H2,1-9H3,(H,124,144)(H,125,145)(H,126,146)(H,127,147)(H,128,148)(H,129,149)(H,130,150)(H,131,151)(H,132,152)(H,186,187)(H,188,189)(H,190,191)/t38-,39-,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-,104-,105?,106+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,121+,122+,123+/m0/s1
InChIKeyWQDJHPZRVRYDCY-HZSPTPBDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91854698 (CHEBI:153269) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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->2)-[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->4)]-alpha-D-manno-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->2)-[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)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G69319YQGlyGen
G69319YQGlyTouCan