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CHEBI:156647 - CID 146017886

Default Structure
ChEBI IDCHEBI:156647
ChEBI NameCID 146017886
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC118H194N8O86
Net Charge0
Average Mass3100.820
Monoisotopic Mass3099.10531
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@]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](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]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@]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](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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/6,16,15/[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]/1-1-2-3-1-4-5-1-4-3-1-4-5-1-4-6/a4-b1_a6-p1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_j6-n1_k4-l1_l6-m2_n4-o1
InChIInChI=1S/C118H194N8O86/c1-27-61(149)76(164)82(170)107(187-27)183-24-52-95(70(158)55(101(177)188-52)121-30(4)139)202-104-58(124-33(7)142)73(161)93(46(20-135)193-104)207-112-88(176)98(208-114-100(87(175)94(47(21-136)196-114)201-103-57(123-32(6)141)72(160)90(43(17-132)192-103)204-109-84(172)78(166)65(153)41(15-130)190-109)210-106-60(126-35(9)144)75(163)92(45(19-134)195-106)206-111-86(174)80(168)67(155)51(199-111)26-186-118(116(180)181)11-37(146)54(120-29(3)138)97(212-118)63(151)39(148)13-128)69(157)49(197-112)23-184-113-99(81(169)68(156)48(200-113)22-182-102-56(122-31(5)140)71(159)89(42(16-131)191-102)203-108-83(171)77(165)64(152)40(14-129)189-108)209-105-59(125-34(8)143)74(162)91(44(18-133)194-105)205-110-85(173)79(167)66(154)50(198-110)25-185-117(115(178)179)10-36(145)53(119-28(2)137)96(211-117)62(150)38(147)12-127/h27,36-114,127-136,145-177H,10-26H2,1-9H3,(H,119,137)(H,120,138)(H,121,139)(H,122,140)(H,123,141)(H,124,142)(H,125,143)(H,126,144)(H,178,179)(H,180,181)/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-,110-,111-,112-,113-,114+,117+,118+/m0/s1
InChIKeyKIGLJBFMHPZJBU-LYCJQKCMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146017886 (CHEBI:156647) 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)-[beta-D-galacto-hexopyranosyl-(1->4)-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->6)-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G99342HDGlyGen
G99342HDGlyTouCan