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CHEBI:148979 - CID 71297905

ChEBI IDCHEBI:148979
ChEBI NameCID 71297905
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC123H201N9O89
Net Charge0
Average Mass3229.935
Monoisotopic Mass3228.14790
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](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]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[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](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]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](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]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,16,15/[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][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-4-2-2-5-6-7/a4-b1_a6-p1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e3-f1_f3-g2_h3-i1_i3-j2_k2-l1_k6-m1_m3-n1_n3-o2
InChIInChI=1S/C123H201N9O89/c1-29-66(160)82(176)84(178)111(194-29)192-28-56-92(80(174)60(105(184)195-56)127-33(5)148)208-108-62(129-35(7)150)81(175)90(52(24-143)203-108)209-112-86(180)99(78(172)55(205-112)27-193-116-103(214-107-61(128-34(6)149)79(173)70(164)45(17-136)197-107)83(177)71(165)54(206-116)26-191-106-63(130-36(8)151)93(72(166)46(18-137)196-106)210-113-87(181)100(75(169)49(21-140)200-113)219-121(118(185)186)11-39(154)57(124-30(2)145)96(216-121)67(161)42(157)14-133)213-117-104(215-110-65(132-38(10)153)95(74(168)48(20-139)199-110)212-115-89(183)102(77(171)51(23-142)202-115)221-123(120(189)190)13-41(156)59(126-32(4)147)98(218-123)69(163)44(159)16-135)85(179)91(53(25-144)204-117)207-109-64(131-37(9)152)94(73(167)47(19-138)198-109)211-114-88(182)101(76(170)50(22-141)201-114)220-122(119(187)188)12-40(155)58(125-31(3)146)97(217-122)68(162)43(158)15-134/h29,39-117,133-144,154-184H,11-28H2,1-10H3,(H,124,145)(H,125,146)(H,126,147)(H,127,148)(H,128,149)(H,129,150)(H,130,151)(H,131,152)(H,132,153)(H,185,186)(H,187,188)(H,189,190)/t29-,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
InChIKeyXOZUKBLVZXNRJZ-XEPXPFSOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297905 (CHEBI:148979) 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->3)-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->3)-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->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)[GlcNAc(b1-2)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G30447NSGlyTouCan
G30447NSGlyGen