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CHEBI:156836 - CID 146015957

Default Structure
ChEBI IDCHEBI:156836
ChEBI NameCID 146015957
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC123H201N9O89
Net Charge0
Average Mass3229.935
Monoisotopic Mass3228.14790
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](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]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=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@]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](O)[C@H](O)[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]5O)[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=2.0/6,16,15/[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]/1-1-2-3-1-4-5-1-4-5-1-3-1-4-5-6/a4-b1_a6-p1_b4-c1_c3-d1_c4-k1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_l2-m1_m4-n1_n6-o2
InChIInChI=1S/C123H201N9O89/c1-29-66(158)81(173)86(178)111(196-29)191-24-55-97(76(168)60(105(184)197-55)127-33(5)146)210-108-63(130-36(8)149)78(170)95(50(22-141)201-108)214-115-91(183)102(98(215-106-61(128-34(6)147)75(167)70(162)45(17-136)198-106)56(208-115)25-192-116-103(85(177)71(163)46(18-137)199-116)217-109-64(131-37(9)150)79(171)93(48(20-139)202-109)212-113-88(180)83(175)73(165)53(206-113)27-194-122(119(187)188)12-40(153)58(125-31(3)144)100(220-122)68(160)43(156)15-134)216-117-104(218-110-65(132-38(10)151)80(172)94(49(21-140)203-110)213-114-89(181)84(176)74(166)54(207-114)28-195-123(120(189)190)13-41(154)59(126-32(4)145)101(221-123)69(161)44(157)16-135)90(182)96(51(23-142)204-117)209-107-62(129-35(7)148)77(169)92(47(19-138)200-107)211-112-87(179)82(174)72(164)52(205-112)26-193-121(118(185)186)11-39(152)57(124-30(2)143)99(219-121)67(159)42(155)14-133/h29,39-117,133-142,152-184H,11-28H2,1-10H3,(H,124,143)(H,125,144)(H,126,145)(H,127,146)(H,128,147)(H,129,148)(H,130,149)(H,131,150)(H,132,151)(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
InChIKeyHJODTZIDBZVMMT-FOGHUHEDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146015957 (CHEBI:156836) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
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)-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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)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)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G97545UWGlyGen
G97545UWGlyTouCan