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CHEBI:146578 - CID 91846364

ChEBI IDCHEBI:146578
ChEBI NameCID 91846364
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC120H195N9O88
Net Charge0
Average Mass3171.855
Monoisotopic Mass3170.10603
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]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@]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@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,15,14/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5]/1-2-3-4-2-5-6-5-2-6-5-4-2-6-5/a4-b1_b4-c1_c3-d1_c6-l1_d2-e1_d4-i1_e3-f2_e4-g1_g3-h2_i4-j1_j3-k2_l2-m1_m4-n1_n3-o2
InChIInChI=1S/C120H195N9O88/c1-29(144)121-57-38(153)10-117(113(181)182,210-91(57)66(161)42(157)14-130)214-95-65(129-37(9)152)106(198-55(27-143)90(95)206-110-84(179)99(73(168)49(21-137)193-110)217-120(116(187)188)13-41(156)60(124-32(4)147)94(213-120)69(164)45(160)17-133)209-101-80(175)89(202-104-63(127-35(7)150)77(172)87(52(24-140)196-104)204-108-82(177)97(71(166)47(19-135)191-108)215-118(114(183)184)11-39(154)58(122-30(2)145)92(211-118)67(162)43(158)15-131)54(26-142)199-112(101)207-96-74(169)56(200-107(81(96)176)203-86-51(23-139)195-103(62(76(86)171)126-34(6)149)201-85-50(22-138)190-102(180)61(75(85)170)125-33(5)148)28-189-111-100(79(174)70(165)46(18-134)194-111)208-105-64(128-36(8)151)78(173)88(53(25-141)197-105)205-109-83(178)98(72(167)48(20-136)192-109)216-119(115(185)186)12-40(155)59(123-31(3)146)93(212-119)68(163)44(159)16-132/h38-112,130-143,153-180H,10-28H2,1-9H3,(H,121,144)(H,122,145)(H,123,146)(H,124,147)(H,125,148)(H,126,149)(H,127,150)(H,128,151)(H,129,152)(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
InChIKeyYHNRICRJBKTZFF-XUEIZHKHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846364 (CHEBI:146578) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)]-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)-[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(a2-3)Gal(b1-4)[NeuAc(a2-3)]GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)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
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