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CHEBI:150886 - CID 91860877

Default Structure
ChEBI IDCHEBI:150886
ChEBI NameCID 91860877
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC120H197N9O89S
Net Charge0
Average Mass3221.937
Monoisotopic Mass3220.08867
SMILESCC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)O[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@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]3O)O[C@H](CO)[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](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]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/9,16,15/[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_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]/1-2-3-4-2-5-2-6-7-8-4-2-6-7-8-9/a4-b1_a6-p1_b4-c1_c3-d1_c6-k1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i2_h4-j1_k2-l1_l4-m1_m3-n2_m4-o1
InChIInChI=1S/C120H197N9O89S/c1-28-64(156)79(171)81(173)110(189-28)187-27-54-92(74(166)57(103(179)190-54)123-31(4)145)204-107-61(127-35(8)149)76(168)87(46(19-136)196-107)205-111-83(175)97(71(163)53(202-111)26-188-115-101(80(172)69(161)44(17-134)194-115)212-108-62(128-36(9)150)77(169)90(49(22-139)197-108)208-114-86(178)100(94(52(25-142)200-114)210-105-59(125-33(6)147)73(165)68(160)43(16-133)192-105)217-120(118(182)183)12-39(153)56(122-30(3)144)96(215-120)66(158)41(155)14-131)211-116-102(213-109-63(129-37(10)151)78(170)88(48(21-138)198-109)206-112-84(176)98(218-219(184,185)186)70(162)45(18-135)193-112)82(174)91(50(23-140)201-116)203-106-60(126-34(7)148)75(167)89(47(20-137)195-106)207-113-85(177)99(93(51(24-141)199-113)209-104-58(124-32(5)146)72(164)67(159)42(15-132)191-104)216-119(117(180)181)11-38(152)55(121-29(2)143)95(214-119)65(157)40(154)13-130/h28,38-116,130-142,152-179H,11-27H2,1-10H3,(H,121,143)(H,122,144)(H,123,145)(H,124,146)(H,125,147)(H,126,148)(H,127,149)(H,128,150)(H,129,151)(H,180,181)(H,182,183)(H,184,185,186)/t28-,38-,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+,119-,120-/m0/s1
InChIKeyRNEFLAKLOFSWFQ-NVWYQBFKSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91860877 (CHEBI:150886) 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->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->4)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-alpha-D-manno-hexopyranosyl-(1->3)-[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)-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)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)[Gal3S(b1-4)GlcNAc(b1-2)]Man(a1-3)[NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G44027TTGlyTouCan
G44027TTGlyGen