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CHEBI:155533 - CID 91846806

Default Structure
ChEBI IDCHEBI:155533
ChEBI NameCID 91846806
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC96H160N6O71
Net Charge0
Average Mass2534.307
Monoisotopic Mass2532.90939
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]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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[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]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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,14,13/[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][a2112h-1a_1-5]/1-2-3-4-2-5-6-2-5-4-2-5-2-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f3-g1_h4-i1_j2-k1_j6-m1_k4-l1_m4-n1
InChIInChI=1S/C96H160N6O71/c1-21(115)97-41-54(128)72(32(12-108)149-83(41)146)163-85-43(99-23(3)117)57(131)77(36(16-112)156-85)169-94-71(145)80(53(127)40(161-94)20-148-95-81(172-87-45(101-25(5)119)58(132)75(35(15-111)158-87)167-91-67(141)62(136)49(123)29(9-105)152-91)64(138)51(125)39(162-95)19-147-84-42(98-22(2)116)55(129)73(33(13-109)155-84)165-89-65(139)60(134)47(121)27(7-103)150-89)171-96-82(69(143)78(38(18-114)160-96)164-86-44(100-24(4)118)56(130)74(34(14-110)157-86)166-90-66(140)61(135)48(122)28(8-104)151-90)173-88-46(102-26(6)120)59(133)76(37(17-113)159-88)168-93-70(144)79(52(126)31(11-107)154-93)170-92-68(142)63(137)50(124)30(10-106)153-92/h27-96,103-114,121-146H,7-20H2,1-6H3,(H,97,115)(H,98,116)(H,99,117)(H,100,118)(H,101,119)(H,102,120)/t27-,28-,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
InChIKeyLPZXLNHUWGYELL-ITGJVNMDSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846806 (CHEBI:155533) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
alpha-D-galacto-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-beta-D-gluco-hexopyranosyl-(1->4)]-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-beta-D-gluco-hexopyranosyl-(1->6)]-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
Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G98732ZLGlyGen
G98732ZLGlyTouCan