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CHEBI:148829 - CID 91851442

ChEBI IDCHEBI:148829
ChEBI NameCID 91851442
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@]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](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](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_k6-l2
InChIInChI=1S/C95H155N7O73/c1-23(115)96-48-61(137)70(36(14-109)156-81(48)146)165-82-49(97-24(2)116)62(138)72(38(16-111)160-82)167-86-68(144)77(60(136)39(163-86)20-153-88-79(65(141)55(131)33(11-106)158-88)170-83-50(98-25(3)117)63(139)71(37(15-110)161-83)166-85-67(143)64(140)57(133)40(164-85)21-154-93(90(147)148)5-27(119)45(100-42(125)17-112)74(172-93)52(128)30(122)8-103)169-89-80(66(142)56(132)34(12-107)159-89)171-84-51(99-26(4)118)73(59(135)41(162-84)22-155-94(91(149)150)6-28(120)46(101-43(126)18-113)75(173-94)53(129)31(123)9-104)168-87-69(145)78(58(134)35(13-108)157-87)175-95(92(151)152)7-29(121)47(102-44(127)19-114)76(174-95)54(130)32(124)10-105/h27-41,45-89,103-114,119-124,128-146H,5-22H2,1-4H3,(H,96,115)(H,97,116)(H,98,117)(H,99,118)(H,100,125)(H,101,126)(H,102,127)(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
InChIKeyZVOTWMOVBQZHSM-JIBZSGSFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91851442 (CHEBI:148829) 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->6)-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(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G24229GDGlyTouCan
G24229GDGlyGen