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CHEBI:153645 - CID 91857472

Default Structure
ChEBI IDCHEBI:153645
ChEBI NameCID 91857472
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC116H193N7O84
Net Charge0
Average Mass3029.785
Monoisotopic Mass3028.10458
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]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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]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]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]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=2.0/7,17,16/[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][a2112h-1a_1-5]/1-2-3-4-2-5-6-7-2-6-2-4-2-6-2-5-6/a4-b1_b4-c1_c3-d1_c4-k1_c6-l1_d2-e1_d4-i1_e3-f1_e4-g1_g3-h1_i4-j1_l2-m1_l6-o1_m4-n1_o3-p1_o4-q1
InChIInChI=1S/C116H193N7O84/c1-25-56(144)70(158)77(165)107(177-25)202-94-54(122-32(8)142)101(186-45(21-135)91(94)200-111-81(169)74(162)61(149)37(13-127)183-111)175-23-47-63(151)76(164)98(206-105-53(121-31(7)141)69(157)88(42(18-132)189-105)197-110-80(168)73(161)60(148)36(12-126)182-110)115(192-47)176-24-48-93(199-102-50(118-28(4)138)65(153)58(146)34(10-124)180-102)97(85(173)114(193-48)198-89-43(19-133)187-103(51(68(89)156)119-29(5)139)194-86-40(16-130)179-100(174)49(66(86)154)117-27(3)137)205-116-99(83(171)90(44(20-134)191-116)195-104-52(120-30(6)140)67(155)87(41(17-131)188-104)196-109-79(167)72(160)59(147)35(11-125)181-109)207-106-55(123-33(9)143)95(203-108-78(166)71(159)57(145)26(2)178-108)92(46(22-136)190-106)201-113-84(172)96(64(152)39(15-129)185-113)204-112-82(170)75(163)62(150)38(14-128)184-112/h25-26,34-116,124-136,144-174H,10-24H2,1-9H3,(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)/t25-,26-,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-,111-,112+,113-,114-,115-,116+/m0/s1
InChIKeyCCNSNUGPMVKMCY-UXYMGUEFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91857472 (CHEBI:153645) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Gal(a1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G79815MAGlyTouCan
G79815MAGlyGen