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CHEBI:151807 - CID 71297740

ChEBI IDCHEBI:151807
ChEBI NameCID 71297740
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H161N7O71
Net Charge0
Average Mass2573.344
Monoisotopic Mass2571.92029
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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)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(C)=O)[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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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@@H](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,13,12/[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*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-4-2-5-6-7/a4-b1_a6-m1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_e4-f1_f6-g2_i2-j1_j4-k1_k6-l2
InChIInChI=1S/C98H161N7O71/c1-23-52(125)65(138)70(143)89(156-23)152-19-43-77(61(134)47(84(147)157-43)101-26(4)116)167-86-49(103-28(6)118)62(135)76(40(18-113)161-86)170-92-73(146)81(172-94-83(69(142)57(130)37(15-110)160-94)174-88-51(105-30(8)120)64(137)75(39(17-112)163-88)169-91-72(145)67(140)59(132)42(165-91)22-155-98(96(150)151)10-32(122)46(100-25(3)115)80(176-98)54(127)34(124)12-107)78(171-85-48(102-27(5)117)60(133)55(128)35(13-108)158-85)44(166-92)20-153-93-82(68(141)56(129)36(14-109)159-93)173-87-50(104-29(7)119)63(136)74(38(16-111)162-87)168-90-71(144)66(139)58(131)41(164-90)21-154-97(95(148)149)9-31(121)45(99-24(2)114)79(175-97)53(126)33(123)11-106/h23,31-94,106-113,121-147H,9-22H2,1-8H3,(H,99,114)(H,100,115)(H,101,116)(H,102,117)(H,103,118)(H,104,119)(H,105,120)(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+/m0/s1
InChIKeyDTAKBBDGKWRFDS-PARZAESBSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297740 (CHEBI:151807) is a polysaccharide (CHEBI:18154)
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)-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)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)]GlcNAcSUBMITTER
Manual XrefsDatabases
G48713OYGlyTouCan
G48713OYGlyGen