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CHEBI:152063 - CID 91860120

ChEBI IDCHEBI:152063
ChEBI NameCID 91860120
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC95H155N7O73
Net Charge0
Average Mass2563.261
Monoisotopic Mass2561.86317
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](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[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(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O5)[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](O)[C@@H]3O[C@@H]3O[C@H](CO[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O4)[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(=O)CO)[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=2.0/6,12,11/[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*NCCO/3=O]/1-2-3-4-2-5-6-6-4-2-5-6/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_e6-h2_f3-g2_i2-j1_j4-k1_k3-l2
InChIInChI=1S/C95H155N7O73/c1-23(116)96-48-61(138)69(37(15-110)155-81(48)146)164-82-49(97-24(2)117)62(139)70(38(16-111)160-82)165-85-66(143)76(60(137)40(163-85)21-153-88-79(64(141)55(132)33(11-106)158-88)169-83-50(98-25(3)118)63(140)71(39(17-112)161-83)166-86-67(144)77(57(134)35(13-108)156-86)174-94(91(149)150)6-28(121)46(101-43(127)19-114)74(172-94)53(130)31(124)9-104)168-89-80(65(142)56(133)34(12-107)159-89)170-84-51(99-26(4)119)72(59(136)41(162-84)22-154-93(90(147)148)5-27(120)45(100-42(126)18-113)73(171-93)52(129)30(123)8-103)167-87-68(145)78(58(135)36(14-109)157-87)175-95(92(151)152)7-29(122)47(102-44(128)20-115)75(173-95)54(131)32(125)10-105/h27-41,45-89,103-115,120-125,129-146H,5-22H2,1-4H3,(H,96,116)(H,97,117)(H,98,118)(H,99,119)(H,100,126)(H,101,127)(H,102,128)(H,147,148)(H,149,150)(H,151,152)/t27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,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+,93+,94-,95-/m0/s1
InChIKeyUTWGUFAVCSOIHG-YSLVIBBISA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91860120 (CHEBI:152063) is a polysaccharide (CHEBI:18154)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-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)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuGc(a2-3)Gal(b1-3)[NeuGc(a2-6)]GlcNAc(b1-2)Man(a1-3)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
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