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CHEBI:149254 - CID 91862896

ChEBI IDCHEBI:149254
ChEBI NameCID 91862896
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H161N7O71
Net Charge0
Average Mass2573.344
Monoisotopic Mass2571.92029
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@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](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](O)[C@@H]4O[C@@H]4O[C@H](CO)[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](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=2.0/6,13,12/[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][a2112m-1a_1-5]/1-1-2-3-1-4-5-1-3-1-4-5-6/a4-b1_a6-m1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_e4-f1_f3-g2_i2-j1_j4-k1_k3-l2
InChIInChI=1S/C98H161N7O71/c1-23-52(127)65(140)68(143)89(154-23)152-21-43-75(61(136)47(84(147)155-43)101-26(4)118)165-86-49(103-28(6)120)62(137)74(40(18-113)161-86)168-92-71(146)81(170-94-83(67(142)57(132)37(15-110)160-94)172-88-51(105-30(8)122)64(139)73(42(20-115)163-88)167-91-70(145)80(59(134)39(17-112)158-91)176-98(96(150)151)10-32(124)46(100-25(3)117)78(174-98)54(129)34(126)12-107)76(169-85-48(102-27(5)119)60(135)55(130)35(13-108)156-85)44(164-92)22-153-93-82(66(141)56(131)36(14-109)159-93)171-87-50(104-29(7)121)63(138)72(41(19-114)162-87)166-90-69(144)79(58(133)38(16-111)157-90)175-97(95(148)149)9-31(123)45(99-24(2)116)77(173-97)53(128)33(125)11-106/h23,31-94,106-115,123-147H,9-22H2,1-8H3,(H,99,116)(H,100,117)(H,101,118)(H,102,119)(H,103,120)(H,104,121)(H,105,122)(H,148,149)(H,150,151)/t23-,31+,32+,33-,34-,35-,36-,37-,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-,97+,98+/m1/s1
InChIKeyMNONKEGNFCVPJQ-FHNXXZAISA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91862896 (CHEBI:149254) 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->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)-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-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[D-Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G32303JYGlyTouCan