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CHEBI:157062 - CID 146015570

Default Structure
ChEBI IDCHEBI:157062
ChEBI NameCID 146015570
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC120H195N9O88
Net Charge0
Average Mass3171.855
Monoisotopic Mass3170.10603
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@]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](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](O)[C@@H]4O[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]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]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/5,15,14/[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]/1-1-2-3-1-4-5-5-3-1-4-5-1-4-5/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e3-f1_e6-h2_f3-g2_i2-j1_i6-m1_j4-k1_k6-l2_m4-n1_n6-o2
InChIInChI=1S/C120H195N9O88/c1-29(140)121-57-38(149)10-117(113(181)182,213-94(57)66(157)42(153)14-130)191-26-54-71(162)81(172)85(176)107(202-54)206-90-49(21-137)197-103(62(78(90)169)126-34(6)145)189-24-52-73(164)84(175)100(211-105-64(128-36(8)147)80(171)91(50(22-138)199-105)207-108-86(177)82(173)72(163)55(203-108)27-192-118(114(183)184)11-39(150)58(122-30(2)141)95(214-118)67(158)43(154)15-131)111(204-52)190-25-53-76(167)98(87(178)109(201-53)208-92-51(23-139)198-104(63(79(92)170)127-35(7)146)205-89-48(20-136)194-102(180)61(77(89)168)125-33(5)144)210-112-101(83(174)70(161)46(18-134)196-112)212-106-65(129-37(9)148)93(75(166)56(200-106)28-193-119(115(185)186)12-40(151)59(123-31(3)142)96(215-119)68(159)44(155)16-132)209-110-88(179)99(74(165)47(19-135)195-110)217-120(116(187)188)13-41(152)60(124-32(4)143)97(216-120)69(160)45(156)17-133/h38-112,130-139,149-180H,10-28H2,1-9H3,(H,121,140)(H,122,141)(H,123,142)(H,124,143)(H,125,144)(H,126,145)(H,127,146)(H,128,147)(H,129,148)(H,181,182)(H,183,184)(H,185,186)(H,187,188)/t38-,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+,117+,118+,119+,120-/m0/s1
InChIKeyMMQRVJFTRLNKJN-DQLCMAEHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146015570 (CHEBI:157062) 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->3)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-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)-[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->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(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G66422NVGlyTouCan
G66422NVGlyGen