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CHEBI:151113 - CID 71297885

Default Structure
ChEBI IDCHEBI:151113
ChEBI NameCID 71297885
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H188N8O84
Net Charge0
Average Mass3026.741
Monoisotopic Mass3025.06853
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](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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,15,14/[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][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-7-5-6-4-2-5-6/a4-b1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h4-j1_j3-k2_l2-m1_m4-n1_n3-o2
InChIInChI=1S/C115H188N8O84/c1-27-61(150)74(163)77(166)103(181-27)199-92-60(123-35(9)143)102(189-50(24-135)88(92)198-107-82(171)95(68(157)44(18-129)184-107)207-115(112(177)178)12-38(146)55(118-30(4)138)91(205-115)64(153)41(149)15-126)194-87-49(23-134)190-109(97(79(87)168)202-101-59(122-34(8)142)72(161)84(46(20-131)188-101)195-104-78(167)75(164)66(155)52(192-104)26-180-113(110(173)174)10-36(144)53(116-28(2)136)89(203-113)62(151)39(147)13-124)200-93-69(158)51(191-105(80(93)169)196-85-47(21-132)186-99(57(71(85)160)120-32(6)140)193-83-45(19-130)182-98(172)56(70(83)159)119-31(5)139)25-179-108-96(76(165)65(154)42(16-127)185-108)201-100-58(121-33(7)141)73(162)86(48(22-133)187-100)197-106-81(170)94(67(156)43(17-128)183-106)206-114(111(175)176)11-37(145)54(117-29(3)137)90(204-114)63(152)40(148)14-125/h27,36-109,124-135,144-172H,10-26H2,1-9H3,(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,173,174)(H,175,176)(H,177,178)/t27-,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+,113+,114-,115-/m0/s1
InChIKeyJBOOIUFPCUHIDH-ZCZAVLMASA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71297885 (CHEBI:151113) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-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
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G46141DDGlyGen
G46141DDGlyTouCan