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CHEBI:155617 - CID 91853698

Default Structure
ChEBI IDCHEBI:155617
ChEBI NameCID 91853698
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC110H183N7O80
Net Charge0
Average Mass2883.643
Monoisotopic Mass2882.04667
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]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]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]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,16,15/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-6-4-2-6-2-6-2-6/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_j2-k1_j6-o1_k4-l1_l3-m1_m4-n1_o4-p1
InChIInChI=1S/C110H183N7O80/c1-24-54(138)68(152)74(158)102(169-24)193-90-53(117-31(8)137)101(181-44(21-130)89(90)192-106-78(162)72(156)58(142)35(12-121)174-106)197-94-79(163)88(186-98-50(114-28(5)134)64(148)84(39(16-125)178-98)188-104-76(160)70(154)56(140)33(10-119)172-104)43(20-129)182-110(94)195-92-61(145)46(183-108(81(92)165)191-87-41(18-127)177-97(49(65(87)149)113-27(4)133)185-82-37(14-123)170-95(166)47(62(82)146)111-25(2)131)23-168-109-93(73(157)59(143)45(184-109)22-167-96-48(112-26(3)132)63(147)83(38(15-124)176-96)187-103-75(159)69(153)55(139)32(9-118)171-103)196-100-52(116-30(7)136)67(151)86(42(19-128)180-100)190-107-80(164)91(60(144)36(13-122)175-107)194-99-51(115-29(6)135)66(150)85(40(17-126)179-99)189-105-77(161)71(155)57(141)34(11-120)173-105/h24,32-110,118-130,138-166H,9-23H2,1-8H3,(H,111,131)(H,112,132)(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)/t24-,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+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110+/m0/s1
InChIKeyIKJJPQZYPZRTLC-GVTOCOEFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91853698 (CHEBI:155617) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-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)-[6-deoxy-alpha-L-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-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G99165YYGlyGen
G99165YYGlyTouCan