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CHEBI:156844 - CID 146015397

Default Structure
ChEBI IDCHEBI:156844
ChEBI NameCID 146015397
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC140H228N10O103
Net Charge0
Average Mass3699.331
Monoisotopic Mass3697.29105
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@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[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](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(=O)CO)[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@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[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)O[C@H]1O
WURCSWURCS=2.0/7,18,17/[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][Aad21122h-2a_2-6_5*NCCO/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-4-5-3-1-4-6-1-7-4-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j2_k2-l1_k6-o1_l4-m1_m6-n2_o3-p1_o4-q1_q3-r2
InChIInChI=1S/C140H228N10O103/c1-33-75(183)91(199)95(203)125(223-33)244-113-74(149-42(10)173)120(227-59(27-163)108(113)243-130-101(209)116(84(192)52(20-156)226-130)253-140(136(217)218)14-46(177)67(143-36(4)167)111(251-140)78(186)49(180)17-153)219-29-60-82(190)94(202)117(246-123-72(147-40(8)171)89(197)103(54(22-158)230-123)239-126-96(204)93(201)81(189)63(235-126)32-222-138(134(213)214)12-44(175)68(150-64(182)28-164)112(249-138)79(187)50(181)18-154)131(236-60)220-30-61-85(193)114(99(207)128(233-61)241-105-56(24-160)228-121(70(87(105)195)145-38(6)169)237-102-53(21-157)224-119(210)69(86(102)194)144-37(5)168)245-132-118(247-124-73(148-41(9)172)90(198)104(55(23-159)231-124)240-127-97(205)92(200)80(188)62(234-127)31-221-137(133(211)212)11-43(174)65(141-34(2)165)109(248-137)76(184)47(178)15-151)98(206)107(58(26-162)232-132)238-122-71(146-39(7)170)88(196)106(57(25-161)229-122)242-129-100(208)115(83(191)51(19-155)225-129)252-139(135(215)216)13-45(176)66(142-35(3)166)110(250-139)77(185)48(179)16-152/h33,43-63,65-132,151-164,174-181,183-210H,11-32H2,1-10H3,(H,141,165)(H,142,166)(H,143,167)(H,144,168)(H,145,169)(H,146,170)(H,147,171)(H,148,172)(H,149,173)(H,150,182)(H,211,212)(H,213,214)(H,215,216)(H,217,218)/t33-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,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-,117-,118-,119+,120+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132+,137+,138+,139-,140-/m0/s1
InChIKeyOJTJIQYIHKBCDH-GAGDXPSWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146015397 (CHEBI:156844) 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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-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->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
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G56485SIGlyTouCan
G56485SIGlyGen