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CHEBI:146539 - CID 91853288

ChEBI IDCHEBI:146539
ChEBI NameCID 91853288
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC96H160N6O69
Net Charge0
Average Mass2502.309
Monoisotopic Mass2500.91956
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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[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@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](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@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[C@H]5O[C@H](C)[C@H](O)[C@H](O)[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=2.0/7,14,13/[a2122h-1a_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-1-2-3-4-5-6-7-3-4-5-1-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f2-g1_f3-h1_i2-j1_i6-l1_j4-k1_l4-m1
InChIInChI=1S/C96H160N6O69/c1-21-47(118)62(133)68(139)89(148-21)146-20-40-77(57(128)41(83(144)150-40)97-23(3)112)162-86-44(100-26(6)115)59(130)75(36(16-110)157-86)165-93-72(143)78(167-95-81(66(137)52(123)32(12-106)154-95)170-88-46(102-28(8)117)61(132)76(37(17-111)159-88)166-96-82(171-90-69(140)63(134)48(119)22(2)149-90)79(54(125)33(13-107)155-96)168-85-42(98-24(4)113)56(127)49(120)29(9-103)151-85)55(126)39(160-93)19-147-94-80(169-87-45(101-27(7)116)60(131)74(35(15-109)158-87)164-92-71(142)65(136)51(122)31(11-105)153-92)67(138)53(124)38(161-94)18-145-84-43(99-25(5)114)58(129)73(34(14-108)156-84)163-91-70(141)64(135)50(121)30(10-104)152-91/h21-22,29-96,103-111,118-144H,9-20H2,1-8H3,(H,97,112)(H,98,113)(H,99,114)(H,100,115)(H,101,116)(H,102,117)/t21-,22-,29-,30-,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+,95-,96+/m1/s1
InChIKeyGWGUSKGTZMDGHQ-PPBXENRCSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91853288 (CHEBI:146539) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-D-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranoseSUBMITTER
D-Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(a1-4)[D-Fuc(a1-6)]a-GlcNAcSUBMITTER
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