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CHEBI:149125 - CID 91855459

ChEBI IDCHEBI:149125
ChEBI NameCID 91855459
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC96H160N6O70
Net Charge0
Average Mass2518.308
Monoisotopic Mass2516.91447
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]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]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/8,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5]/1-1-2-3-4-5-1-6-5-3-1-5-7-8/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g3-h1_g4-i1_j2-k1_j6-m1_k4-l1_m4-n1
InChIInChI=1S/C96H160N6O70/c1-21-47(120)59(132)65(138)89(148-21)169-79-46(102-27(7)119)88(158-38(18-113)78(79)168-93-69(142)63(136)51(124)31(11-106)153-93)163-77-37(17-112)159-96(82(70(77)143)172-87-45(101-26(6)118)58(131)75(35(15-110)157-87)166-92-68(141)62(135)50(123)30(10-105)152-92)170-80-53(126)40(160-94(71(80)144)167-76-36(16-111)155-85(43(56(76)129)99-24(4)116)162-72-32(12-107)149-83(145)41(54(72)127)97-22(2)114)20-147-95-81(171-86-44(100-25(5)117)57(130)74(34(14-109)156-86)165-91-67(140)61(134)49(122)29(9-104)151-91)64(137)52(125)39(161-95)19-146-84-42(98-23(3)115)55(128)73(33(13-108)154-84)164-90-66(139)60(133)48(121)28(8-103)150-90/h21,28-96,103-113,120-145H,8-20H2,1-7H3,(H,97,114)(H,98,115)(H,99,116)(H,100,117)(H,101,118)(H,102,119)/t21-,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+/m0/s1
InChIKeyAAHYMNJLDQLIQL-XJFKZTCGSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855459 (CHEBI:149125) is a polysaccharide (CHEBI:18154)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[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)-[alpha-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-galacto-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-beta-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(a1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Glc(a1-4)GalNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G25328BMGlyTouCan
G25328BMGlyGen